Sample records for kernel particle method

  1. A Kernel-based Lagrangian method for imperfectly-mixed chemical reactions

    NASA Astrophysics Data System (ADS)

    Schmidt, Michael J.; Pankavich, Stephen; Benson, David A.

    2017-05-01

    Current Lagrangian (particle-tracking) algorithms used to simulate diffusion-reaction equations must employ a certain number of particles to properly emulate the system dynamics-particularly for imperfectly-mixed systems. The number of particles is tied to the statistics of the initial concentration fields of the system at hand. Systems with shorter-range correlation and/or smaller concentration variance require more particles, potentially limiting the computational feasibility of the method. For the well-known problem of bimolecular reaction, we show that using kernel-based, rather than Dirac delta, particles can significantly reduce the required number of particles. We derive the fixed width of a Gaussian kernel for a given reduced number of particles that analytically eliminates the error between kernel and Dirac solutions at any specified time. We also show how to solve for the fixed kernel size by minimizing the squared differences between solutions over any given time interval. Numerical results show that the width of the kernel should be kept below about 12% of the domain size, and that the analytic equations used to derive kernel width suffer significantly from the neglect of higher-order moments. The simulations with a kernel width given by least squares minimization perform better than those made to match at one specific time. A heuristic time-variable kernel size, based on the previous results, performs on par with the least squares fixed kernel size.

  2. Do we really need a large number of particles to simulate bimolecular reactive transport with random walk methods? A kernel density estimation approach

    NASA Astrophysics Data System (ADS)

    Rahbaralam, Maryam; Fernàndez-Garcia, Daniel; Sanchez-Vila, Xavier

    2015-12-01

    Random walk particle tracking methods are a computationally efficient family of methods to solve reactive transport problems. While the number of particles in most realistic applications is in the order of 106-109, the number of reactive molecules even in diluted systems might be in the order of fractions of the Avogadro number. Thus, each particle actually represents a group of potentially reactive molecules. The use of a low number of particles may result not only in loss of accuracy, but also may lead to an improper reproduction of the mixing process, limited by diffusion. Recent works have used this effect as a proxy to model incomplete mixing in porous media. In this work, we propose using a Kernel Density Estimation (KDE) of the concentrations that allows getting the expected results for a well-mixed solution with a limited number of particles. The idea consists of treating each particle as a sample drawn from the pool of molecules that it represents; this way, the actual location of a tracked particle is seen as a sample drawn from the density function of the location of molecules represented by that given particle, rigorously represented by a kernel density function. The probability of reaction can be obtained by combining the kernels associated to two potentially reactive particles. We demonstrate that the observed deviation in the reaction vs time curves in numerical experiments reported in the literature could be attributed to the statistical method used to reconstruct concentrations (fixed particle support) from discrete particle distributions, and not to the occurrence of true incomplete mixing. We further explore the evolution of the kernel size with time, linking it to the diffusion process. Our results show that KDEs are powerful tools to improve computational efficiency and robustness in reactive transport simulations, and indicates that incomplete mixing in diluted systems should be modeled based on alternative mechanistic models and not on a limited number of particles.

  3. Locally adaptive methods for KDE-based random walk models of reactive transport in porous media

    NASA Astrophysics Data System (ADS)

    Sole-Mari, G.; Fernandez-Garcia, D.

    2017-12-01

    Random Walk Particle Tracking (RWPT) coupled with Kernel Density Estimation (KDE) has been recently proposed to simulate reactive transport in porous media. KDE provides an optimal estimation of the area of influence of particles which is a key element to simulate nonlinear chemical reactions. However, several important drawbacks can be identified: (1) the optimal KDE method is computationally intensive and thereby cannot be used at each time step of the simulation; (2) it does not take advantage of the prior information about the physical system and the previous history of the solute plume; (3) even if the kernel is optimal, the relative error in RWPT simulations typically increases over time as the particle density diminishes by dilution. To overcome these problems, we propose an adaptive branching random walk methodology that incorporates the physics, the particle history and maintains accuracy with time. The method allows particles to efficiently split and merge when necessary as well as to optimally adapt their local kernel shape without having to recalculate the kernel size. We illustrate the advantage of the method by simulating complex reactive transport problems in randomly heterogeneous porous media.

  4. Spatial Variability of Organic Carbon in a Fractured Mudstone and Its Effect on the Retention and Release of Trichloroethene (TCE)

    NASA Astrophysics Data System (ADS)

    Sole-Mari, G.; Fernandez-Garcia, D.

    2016-12-01

    Random Walk Particle Tracking (RWPT) coupled with Kernel Density Estimation (KDE) has been recently proposed to simulate reactive transport in porous media. KDE provides an optimal estimation of the area of influence of particles which is a key element to simulate nonlinear chemical reactions. However, several important drawbacks can be identified: (1) the optimal KDE method is computationally intensive and thereby cannot be used at each time step of the simulation; (2) it does not take advantage of the prior information about the physical system and the previous history of the solute plume; (3) even if the kernel is optimal, the relative error in RWPT simulations typically increases over time as the particle density diminishes by dilution. To overcome these problems, we propose an adaptive branching random walk methodology that incorporates the physics, the particle history and maintains accuracy with time. The method allows particles to efficiently split and merge when necessary as well as to optimally adapt their local kernel shape without having to recalculate the kernel size. We illustrate the advantage of the method by simulating complex reactive transport problems in randomly heterogeneous porous media.

  5. A deformable particle-in-cell method for advective transport in geodynamic modeling

    NASA Astrophysics Data System (ADS)

    Samuel, Henri

    2018-06-01

    This paper presents an improvement of the particle-in-cell method commonly used in geodynamic modeling for solving pure advection of sharply varying fields. Standard particle-in-cell approaches use particle kernels to transfer the information carried by the Lagrangian particles to/from the Eulerian grid. These kernels are generally one-dimensional and non-evolutive, which leads to the development of under- and over-sampling of the spatial domain by the particles. This reduces the accuracy of the solution, and may require the use of a prohibitive amount of particles in order to maintain the solution accuracy to an acceptable level. The new proposed approach relies on the use of deformable kernels that account for the strain history in the vicinity of particles. It results in a significant improvement of the spatial sampling by the particles, leading to a much higher accuracy of the numerical solution, for a reasonable computational extra cost. Various 2D tests were conducted to compare the performances of the deformable particle-in-cell method with the particle-in-cell approach. These consistently show that at comparable accuracy, the deformable particle-in-cell method was found to be four to six times more efficient than standard particle-in-cell approaches. The method could be adapted to 3D space and generalized to cases including motionless transport.

  6. SU-F-SPS-09: Parallel MC Kernel Calculations for VMAT Plan Improvement

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chamberlain, S; Roswell Park Cancer Institute, Buffalo, NY; French, S

    Purpose: Adding kernels (small perturbations in leaf positions) to the existing apertures of VMAT control points may improve plan quality. We investigate the calculation of kernel doses using a parallelized Monte Carlo (MC) method. Methods: A clinical prostate VMAT DICOM plan was exported from Eclipse. An arbitrary control point and leaf were chosen, and a modified MLC file was created, corresponding to the leaf position offset by 0.5cm. The additional dose produced by this 0.5 cm × 0.5 cm kernel was calculated using the DOSXYZnrc component module of BEAMnrc. A range of particle history counts were run (varying from 3more » × 10{sup 6} to 3 × 10{sup 7}); each job was split among 1, 10, or 100 parallel processes. A particle count of 3 × 10{sup 6} was established as the lower range because it provided the minimal accuracy level. Results: As expected, an increase in particle counts linearly increases run time. For the lowest particle count, the time varied from 30 hours for the single-processor run, to 0.30 hours for the 100-processor run. Conclusion: Parallel processing of MC calculations in the EGS framework significantly decreases time necessary for each kernel dose calculation. Particle counts lower than 1 × 10{sup 6} have too large of an error to output accurate dose for a Monte Carlo kernel calculation. Future work will investigate increasing the number of parallel processes and optimizing run times for multiple kernel calculations.« less

  7. A method of smoothed particle hydrodynamics using spheroidal kernels

    NASA Technical Reports Server (NTRS)

    Fulbright, Michael S.; Benz, Willy; Davies, Melvyn B.

    1995-01-01

    We present a new method of three-dimensional smoothed particle hydrodynamics (SPH) designed to model systems dominated by deformation along a preferential axis. These systems cause severe problems for SPH codes using spherical kernels, which are best suited for modeling systems which retain rough spherical symmetry. Our method allows the smoothing length in the direction of the deformation to evolve independently of the smoothing length in the perpendicular plane, resulting in a kernel with a spheroidal shape. As a result the spatial resolution in the direction of deformation is significantly improved. As a test case we present the one-dimensional homologous collapse of a zero-temperature, uniform-density cloud, which serves to demonstrate the advantages of spheroidal kernels. We also present new results on the problem of the tidal disruption of a star by a massive black hole.

  8. Relationship between processing score and kernel-fraction particle size in whole-plant corn silage.

    PubMed

    Dias Junior, G S; Ferraretto, L F; Salvati, G G S; de Resende, L C; Hoffman, P C; Pereira, M N; Shaver, R D

    2016-04-01

    Kernel processing increases starch digestibility in whole-plant corn silage (WPCS). Corn silage processing score (CSPS), the percentage of starch passing through a 4.75-mm sieve, is widely used to assess degree of kernel breakage in WPCS. However, the geometric mean particle size (GMPS) of the kernel-fraction that passes through the 4.75-mm sieve has not been well described. Therefore, the objectives of this study were (1) to evaluate particle size distribution and digestibility of kernels cut in varied particle sizes; (2) to propose a method to measure GMPS in WPCS kernels; and (3) to evaluate the relationship between CSPS and GMPS of the kernel fraction in WPCS. Composite samples of unfermented, dried kernels from 110 corn hybrids commonly used for silage production were kept whole (WH) or manually cut in 2, 4, 8, 16, 32 or 64 pieces (2P, 4P, 8P, 16P, 32P, and 64P, respectively). Dry sieving to determine GMPS, surface area, and particle size distribution using 9 sieves with nominal square apertures of 9.50, 6.70, 4.75, 3.35, 2.36, 1.70, 1.18, and 0.59 mm and pan, as well as ruminal in situ dry matter (DM) digestibilities were performed for each kernel particle number treatment. Incubation times were 0, 3, 6, 12, and 24 h. The ruminal in situ DM disappearance of unfermented kernels increased with the reduction in particle size of corn kernels. Kernels kept whole had the lowest ruminal DM disappearance for all time points with maximum DM disappearance of 6.9% at 24 h and the greatest disappearance was observed for 64P, followed by 32P and 16P. Samples of WPCS (n=80) from 3 studies representing varied theoretical length of cut settings and processor types and settings were also evaluated. Each WPCS sample was divided in 2 and then dried at 60 °C for 48 h. The CSPS was determined in duplicate on 1 of the split samples, whereas on the other split sample the kernel and stover fractions were separated using a hydrodynamic separation procedure. After separation, the kernel fraction was redried at 60°C for 48 h in a forced-air oven and dry sieved to determine GMPS and surface area. Linear relationships between CSPS from WPCS (n=80) and kernel fraction GMPS, surface area, and proportion passing through the 4.75-mm screen were poor. Strong quadratic relationships between proportion of kernel fraction passing through the 4.75-mm screen and kernel fraction GMPS and surface area were observed. These findings suggest that hydrodynamic separation and dry sieving of the kernel fraction may provide a better assessment of kernel breakage in WPCS than CSPS. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  9. A Novel Extreme Learning Machine Classification Model for e-Nose Application Based on the Multiple Kernel Approach.

    PubMed

    Jian, Yulin; Huang, Daoyu; Yan, Jia; Lu, Kun; Huang, Ying; Wen, Tailai; Zeng, Tanyue; Zhong, Shijie; Xie, Qilong

    2017-06-19

    A novel classification model, named the quantum-behaved particle swarm optimization (QPSO)-based weighted multiple kernel extreme learning machine (QWMK-ELM), is proposed in this paper. Experimental validation is carried out with two different electronic nose (e-nose) datasets. Being different from the existing multiple kernel extreme learning machine (MK-ELM) algorithms, the combination coefficients of base kernels are regarded as external parameters of single-hidden layer feedforward neural networks (SLFNs). The combination coefficients of base kernels, the model parameters of each base kernel, and the regularization parameter are optimized by QPSO simultaneously before implementing the kernel extreme learning machine (KELM) with the composite kernel function. Four types of common single kernel functions (Gaussian kernel, polynomial kernel, sigmoid kernel, and wavelet kernel) are utilized to constitute different composite kernel functions. Moreover, the method is also compared with other existing classification methods: extreme learning machine (ELM), kernel extreme learning machine (KELM), k-nearest neighbors (KNN), support vector machine (SVM), multi-layer perceptron (MLP), radical basis function neural network (RBFNN), and probabilistic neural network (PNN). The results have demonstrated that the proposed QWMK-ELM outperforms the aforementioned methods, not only in precision, but also in efficiency for gas classification.

  10. 7 CFR 981.408 - Inedible kernel.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as... purposes of determining inedible kernels, pieces, or particles of almond kernels. [59 FR 39419, Aug. 3...

  11. 7 CFR 981.408 - Inedible kernel.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as... purposes of determining inedible kernels, pieces, or particles of almond kernels. [59 FR 39419, Aug. 3...

  12. 7 CFR 981.408 - Inedible kernel.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as... purposes of determining inedible kernels, pieces, or particles of almond kernels. [59 FR 39419, Aug. 3...

  13. 7 CFR 981.408 - Inedible kernel.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as... purposes of determining inedible kernels, pieces, or particles of almond kernels. [59 FR 39419, Aug. 3...

  14. A fully-automated multiscale kernel graph cuts based particle localization scheme for temporal focusing two-photon microscopy

    NASA Astrophysics Data System (ADS)

    Huang, Xia; Li, Chunqiang; Xiao, Chuan; Sun, Wenqing; Qian, Wei

    2017-03-01

    The temporal focusing two-photon microscope (TFM) is developed to perform depth resolved wide field fluorescence imaging by capturing frames sequentially. However, due to strong nonignorable noises and diffraction rings surrounding particles, further researches are extremely formidable without a precise particle localization technique. In this paper, we developed a fully-automated scheme to locate particles positions with high noise tolerance. Our scheme includes the following procedures: noise reduction using a hybrid Kalman filter method, particle segmentation based on a multiscale kernel graph cuts global and local segmentation algorithm, and a kinematic estimation based particle tracking method. Both isolated and partial-overlapped particles can be accurately identified with removal of unrelated pixels. Based on our quantitative analysis, 96.22% isolated particles and 84.19% partial-overlapped particles were successfully detected.

  15. A Novel Extreme Learning Machine Classification Model for e-Nose Application Based on the Multiple Kernel Approach

    PubMed Central

    Jian, Yulin; Huang, Daoyu; Yan, Jia; Lu, Kun; Huang, Ying; Wen, Tailai; Zeng, Tanyue; Zhong, Shijie; Xie, Qilong

    2017-01-01

    A novel classification model, named the quantum-behaved particle swarm optimization (QPSO)-based weighted multiple kernel extreme learning machine (QWMK-ELM), is proposed in this paper. Experimental validation is carried out with two different electronic nose (e-nose) datasets. Being different from the existing multiple kernel extreme learning machine (MK-ELM) algorithms, the combination coefficients of base kernels are regarded as external parameters of single-hidden layer feedforward neural networks (SLFNs). The combination coefficients of base kernels, the model parameters of each base kernel, and the regularization parameter are optimized by QPSO simultaneously before implementing the kernel extreme learning machine (KELM) with the composite kernel function. Four types of common single kernel functions (Gaussian kernel, polynomial kernel, sigmoid kernel, and wavelet kernel) are utilized to constitute different composite kernel functions. Moreover, the method is also compared with other existing classification methods: extreme learning machine (ELM), kernel extreme learning machine (KELM), k-nearest neighbors (KNN), support vector machine (SVM), multi-layer perceptron (MLP), radical basis function neural network (RBFNN), and probabilistic neural network (PNN). The results have demonstrated that the proposed QWMK-ELM outperforms the aforementioned methods, not only in precision, but also in efficiency for gas classification. PMID:28629202

  16. Calculation of plasma dielectric response in inhomogeneous magnetic field near electron cyclotron resonance

    NASA Astrophysics Data System (ADS)

    Evstatiev, Evstati; Svidzinski, Vladimir; Spencer, Andy; Galkin, Sergei

    2014-10-01

    Full wave 3-D modeling of RF fields in hot magnetized nonuniform plasma requires calculation of nonlocal conductivity kernel describing the dielectric response of such plasma to the RF field. In many cases, the conductivity kernel is a localized function near the test point which significantly simplifies numerical solution of the full wave 3-D problem. Preliminary results of feasibility analysis of numerical calculation of the conductivity kernel in a 3-D hot nonuniform magnetized plasma in the electron cyclotron frequency range will be reported. This case is relevant to modeling of ECRH in ITER. The kernel is calculated by integrating the linearized Vlasov equation along the unperturbed particle's orbits. Particle's orbits in the nonuniform equilibrium magnetic field are calculated numerically by one of the Runge-Kutta methods. RF electric field is interpolated on a specified grid on which the conductivity kernel is discretized. The resulting integrals in the particle's initial velocity and time are then calculated numerically. Different optimization approaches of the integration are tested in this feasibility analysis. Work is supported by the U.S. DOE SBIR program.

  17. A Kernel-Free Particle-Finite Element Method for Hypervelocity Impact Simulation. Chapter 4

    NASA Technical Reports Server (NTRS)

    Park, Young-Keun; Fahrenthold, Eric P.

    2004-01-01

    An improved hybrid particle-finite element method has been developed for the simulation of hypervelocity impact problems. Unlike alternative methods, the revised formulation computes the density without reference to any kernel or interpolation functions, for either the density or the rate of dilatation. This simplifies the state space model and leads to a significant reduction in computational cost. The improved method introduces internal energy variables as generalized coordinates in a new formulation of the thermomechanical Lagrange equations. Example problems show good agreement with exact solutions in one dimension and good agreement with experimental data in a three dimensional simulation.

  18. Generation of a novel phase-space-based cylindrical dose kernel for IMRT optimization.

    PubMed

    Zhong, Hualiang; Chetty, Indrin J

    2012-05-01

    Improving dose calculation accuracy is crucial in intensity-modulated radiation therapy (IMRT). We have developed a method for generating a phase-space-based dose kernel for IMRT planning of lung cancer patients. Particle transport in the linear accelerator treatment head of a 21EX, 6 MV photon beam (Varian Medical Systems, Palo Alto, CA) was simulated using the EGSnrc/BEAMnrc code system. The phase space information was recorded under the secondary jaws. Each particle in the phase space file was associated with a beamlet whose index was calculated and saved in the particle's LATCH variable. The DOSXYZnrc code was modified to accumulate the energy deposited by each particle based on its beamlet index. Furthermore, the central axis of each beamlet was calculated from the orientation of all the particles in this beamlet. A cylinder was then defined around the central axis so that only the energy deposited within the cylinder was counted. A look-up table was established for each cylinder during the tallying process. The efficiency and accuracy of the cylindrical beamlet energy deposition approach was evaluated using a treatment plan developed on a simulated lung phantom. Profile and percentage depth doses computed in a water phantom for an open, square field size were within 1.5% of measurements. Dose optimized with the cylindrical dose kernel was found to be within 0.6% of that computed with the nontruncated 3D kernel. The cylindrical truncation reduced optimization time by approximately 80%. A method for generating a phase-space-based dose kernel, using a truncated cylinder for scoring dose, in beamlet-based optimization of lung treatment planning was developed and found to be in good agreement with the standard, nontruncated scoring approach. Compared to previous techniques, our method significantly reduces computational time and memory requirements, which may be useful for Monte-Carlo-based 4D IMRT or IMAT treatment planning.

  19. Product demand forecasts using wavelet kernel support vector machine and particle swarm optimization in manufacture system

    NASA Astrophysics Data System (ADS)

    Wu, Qi

    2010-03-01

    Demand forecasts play a crucial role in supply chain management. The future demand for a certain product is the basis for the respective replenishment systems. Aiming at demand series with small samples, seasonal character, nonlinearity, randomicity and fuzziness, the existing support vector kernel does not approach the random curve of the sales time series in the space (quadratic continuous integral space). In this paper, we present a hybrid intelligent system combining the wavelet kernel support vector machine and particle swarm optimization for demand forecasting. The results of application in car sale series forecasting show that the forecasting approach based on the hybrid PSOWv-SVM model is effective and feasible, the comparison between the method proposed in this paper and other ones is also given, which proves that this method is, for the discussed example, better than hybrid PSOv-SVM and other traditional methods.

  20. Enriched reproducing kernel particle method for fractional advection-diffusion equation

    NASA Astrophysics Data System (ADS)

    Ying, Yuping; Lian, Yanping; Tang, Shaoqiang; Liu, Wing Kam

    2018-06-01

    The reproducing kernel particle method (RKPM) has been efficiently applied to problems with large deformations, high gradients and high modal density. In this paper, it is extended to solve a nonlocal problem modeled by a fractional advection-diffusion equation (FADE), which exhibits a boundary layer with low regularity. We formulate this method on a moving least-square approach. Via the enrichment of fractional-order power functions to the traditional integer-order basis for RKPM, leading terms of the solution to the FADE can be exactly reproduced, which guarantees a good approximation to the boundary layer. Numerical tests are performed to verify the proposed approach.

  1. Combining kernel matrix optimization and regularization to improve particle size distribution retrieval

    NASA Astrophysics Data System (ADS)

    Ma, Qian; Xia, Houping; Xu, Qiang; Zhao, Lei

    2018-05-01

    A new method combining Tikhonov regularization and kernel matrix optimization by multi-wavelength incidence is proposed for retrieving particle size distribution (PSD) in an independent model with improved accuracy and stability. In comparison to individual regularization or multi-wavelength least squares, the proposed method exhibited better anti-noise capability, higher accuracy and stability. While standard regularization typically makes use of the unit matrix, it is not universal for different PSDs, particularly for Junge distributions. Thus, a suitable regularization matrix was chosen by numerical simulation, with the second-order differential matrix found to be appropriate for most PSD types.

  2. Discrete element method as an approach to model the wheat milling process

    USDA-ARS?s Scientific Manuscript database

    It is a well-known phenomenon that break-release, particle size, and size distribution of wheat milling are functions of machine operational parameters and grain properties. Due to the non-uniformity of characteristics and properties of wheat kernels, the kernel physical and mechanical properties af...

  3. Kernel and divergence techniques in high energy physics separations

    NASA Astrophysics Data System (ADS)

    Bouř, Petr; Kůs, Václav; Franc, Jiří

    2017-10-01

    Binary decision trees under the Bayesian decision technique are used for supervised classification of high-dimensional data. We present a great potential of adaptive kernel density estimation as the nested separation method of the supervised binary divergence decision tree. Also, we provide a proof of alternative computing approach for kernel estimates utilizing Fourier transform. Further, we apply our method to Monte Carlo data set from the particle accelerator Tevatron at DØ experiment in Fermilab and provide final top-antitop signal separation results. We have achieved up to 82 % AUC while using the restricted feature selection entering the signal separation procedure.

  4. Indetermination of particle sizing by laser diffraction in the anomalous size ranges

    NASA Astrophysics Data System (ADS)

    Pan, Linchao; Ge, Baozhen; Zhang, Fugen

    2017-09-01

    The laser diffraction method is widely used to measure particle size distributions. It is generally accepted that the scattering angle becomes smaller and the angles to the location of the main peak of scattered energy distributions in laser diffraction instruments shift to smaller values with increasing particle size. This specific principle forms the foundation of the laser diffraction method. However, this principle is not entirely correct for non-absorbing particles in certain size ranges and these particle size ranges are called anomalous size ranges. Here, we derive the analytical formulae for the bounds of the anomalous size ranges and discuss the influence of the width of the size segments on the signature of the Mie scattering kernel. This anomalous signature of the Mie scattering kernel will result in an indetermination of the particle size distribution when measured by laser diffraction instruments in the anomalous size ranges. By using the singular-value decomposition method we interpret the mechanism of occurrence of this indetermination in detail and then validate its existence by using inversion simulations.

  5. Exact Doppler broadening of tabulated cross sections. [SIGMA 1 kernel broadening method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cullen, D.E.; Weisbin, C.R.

    1976-07-01

    The SIGMA1 kernel broadening method is presented to Doppler broaden to any required accuracy a cross section that is described by a table of values and linear-linear interpolation in energy-cross section between tabulated values. The method is demonstrated to have no temperature or energy limitations and to be equally applicable to neutron or charged-particle cross sections. The method is qualitatively and quantitatively compared to contemporary approximate methods of Doppler broadening with particular emphasis on the effect of each approximation introduced.

  6. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jolly, Brian C.; Helmreich, Grant; Cooley, Kevin M.

    In support of fully ceramic microencapsulated (FCM) fuel development, coating development work is ongoing at Oak Ridge National Laboratory (ORNL) to produce tri-structural isotropic (TRISO) coated fuel particles with both UN kernels and surrogate (uranium-free) kernels. The nitride kernels are used to increase fissile density in these SiC-matrix fuel pellets with details described elsewhere. The surrogate TRISO particles are necessary for separate effects testing and for utilization in the consolidation process development. This report focuses on the fabrication and characterization of surrogate TRISO particles which use 800μm in diameter ZrO 2 microspheres as the kernel.

  7. Development of a Radial Deconsolidation Method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Helmreich, Grant W.; Montgomery, Fred C.; Hunn, John D.

    2015-12-01

    A series of experiments have been initiated to determine the retention or mobility of fission products* in AGR fuel compacts [Petti, et al. 2010]. This information is needed to refine fission product transport models. The AGR-3/4 irradiation test involved half-inch-long compacts that each contained twenty designed-to-fail (DTF) particles, with 20-μm thick carbon-coated kernels whose coatings were deliberately fabricated such that they would crack under irradiation, providing a known source of post-irradiation isotopes. The DTF particles in these compacts were axially distributed along the compact centerline so that the diffusion of fission products released from the DTF kernels would be radiallymore » symmetric [Hunn, et al. 2012; Hunn et al. 2011; Kercher, et al. 2011; Hunn, et al. 2007]. Compacts containing DTF particles were irradiated at Idaho National Laboratory (INL) at the Advanced Test Reactor (ATR) [Collin, 2015]. Analysis of the diffusion of these various post-irradiation isotopes through the compact requires a method to radially deconsolidate the compacts so that nested-annular volumes may be analyzed for post-irradiation isotope inventory in the compact matrix, TRISO outer pyrolytic carbon (OPyC), and DTF kernels. An effective radial deconsolidation method and apparatus appropriate to this application has been developed and parametrically characterized.« less

  8. CRKSPH: A new meshfree hydrodynamics method with applications to astrophysics

    NASA Astrophysics Data System (ADS)

    Owen, John Michael; Raskin, Cody; Frontiere, Nicholas

    2018-01-01

    The study of astrophysical phenomena such as supernovae, accretion disks, galaxy formation, and large-scale structure formation requires computational modeling of, at a minimum, hydrodynamics and gravity. Developing numerical methods appropriate for these kinds of problems requires a number of properties: shock-capturing hydrodynamics benefits from rigorous conservation of invariants such as total energy, linear momentum, and mass; lack of obvious symmetries or a simplified spatial geometry to exploit necessitate 3D methods that ideally are Galilean invariant; the dynamic range of mass and spatial scales that need to be resolved can span many orders of magnitude, requiring methods that are highly adaptable in their space and time resolution. We have developed a new Lagrangian meshfree hydrodynamics method called Conservative Reproducing Kernel Smoothed Particle Hydrodynamics, or CRKSPH, in order to meet these goals. CRKSPH is a conservative generalization of the meshfree reproducing kernel method, combining the high-order accuracy of reproducing kernels with the explicit conservation of mass, linear momentum, and energy necessary to study shock-driven hydrodynamics in compressible fluids. CRKSPH's Lagrangian, particle-like nature makes it simple to combine with well-known N-body methods for modeling gravitation, similar to the older Smoothed Particle Hydrodynamics (SPH) method. Indeed, CRKSPH can be substituted for SPH in existing SPH codes due to these similarities. In comparison to SPH, CRKSPH is able to achieve substantially higher accuracy for a given number of points due to the explicitly consistent (and higher-order) interpolation theory of reproducing kernels, while maintaining the same conservation principles (and therefore applicability) as SPH. There are currently two coded implementations of CRKSPH available: one in the open-source research code Spheral, and the other in the high-performance cosmological code HACC. Using these codes we have applied CRKSPH to a number of astrophysical scenarios, such as rotating gaseous disks, supernova remnants, and large-scale cosmological structure formation. In this poster we present an overview of CRKSPH and show examples of these astrophysical applications.

  9. 7 CFR 981.7 - Edible kernel.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Edible kernel. 981.7 Section 981.7 Agriculture... Regulating Handling Definitions § 981.7 Edible kernel. Edible kernel means a kernel, piece, or particle of almond kernel that is not inedible. [41 FR 26852, June 30, 1976] ...

  10. Combining neural networks and signed particles to simulate quantum systems more efficiently

    NASA Astrophysics Data System (ADS)

    Sellier, Jean Michel

    2018-04-01

    Recently a new formulation of quantum mechanics has been suggested which describes systems by means of ensembles of classical particles provided with a sign. This novel approach mainly consists of two steps: the computation of the Wigner kernel, a multi-dimensional function describing the effects of the potential over the system, and the field-less evolution of the particles which eventually create new signed particles in the process. Although this method has proved to be extremely advantageous in terms of computational resources - as a matter of fact it is able to simulate in a time-dependent fashion many-body systems on relatively small machines - the Wigner kernel can represent the bottleneck of simulations of certain systems. Moreover, storing the kernel can be another issue as the amount of memory needed is cursed by the dimensionality of the system. In this work, we introduce a new technique which drastically reduces the computation time and memory requirement to simulate time-dependent quantum systems which is based on the use of an appropriately tailored neural network combined with the signed particle formalism. In particular, the suggested neural network is able to compute efficiently and reliably the Wigner kernel without any training as its entire set of weights and biases is specified by analytical formulas. As a consequence, the amount of memory for quantum simulations radically drops since the kernel does not need to be stored anymore as it is now computed by the neural network itself, only on the cells of the (discretized) phase-space which are occupied by particles. As its is clearly shown in the final part of this paper, not only this novel approach drastically reduces the computational time, it also remains accurate. The author believes this work opens the way towards effective design of quantum devices, with incredible practical implications.

  11. High-Performance Reactive Particle Tracking with Adaptive Representation

    NASA Astrophysics Data System (ADS)

    Schmidt, M.; Benson, D. A.; Pankavich, S.

    2017-12-01

    Lagrangian particle tracking algorithms have been shown to be effective tools for modeling chemical reactions in imperfectly-mixed media. One disadvantage of these algorithms is the possible need to employ large numbers of particles in simulations, depending on the concentration covariance structure, and these large particle numbers can lead to long computation times. Two distinct approaches have recently arisen to overcome this. One method employs spatial kernels that are related to a specified, reduced particle number; however, over-wide kernels, dictated by a very low particle number, lead to an excess of reaction calculations and cause a reduction in performance. Another formulation involves hybrid particles that carry multiple species of reactant, wherein each particle is treated as its own well-mixed volume, obviating the need for large numbers of particles for each species but still requiring a fixed number of hybrid particles. Here, we combine these two approaches and demonstrate an improved method for simulating a given system in a computationally efficient manner. Additionally, the independent nature of transport and reaction calculations in this approach allows for significant gains via parallelization in an MPI or OpenMP context. For benchmarking, we choose a CO2 injection simulation with dissolution and precipitation of calcite and dolomite, allowing us to derive the proper treatment of interaction between solid and aqueous phases.

  12. 7 CFR 981.8 - Inedible kernel.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Inedible kernel. 981.8 Section 981.8 Agriculture... Regulating Handling Definitions § 981.8 Inedible kernel. Inedible kernel means a kernel, piece, or particle of almond kernel with any defect scored as serious damage, or damage due to mold, gum, shrivel, or...

  13. 7 CFR 981.408 - Inedible kernel.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Inedible kernel. 981.408 Section 981.408 Agriculture... Administrative Rules and Regulations § 981.408 Inedible kernel. Pursuant to § 981.8, the definition of inedible kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as...

  14. Analysis and Implementation of Particle-to-Particle (P2P) Graphics Processor Unit (GPU) Kernel for Black-Box Adaptive Fast Multipole Method

    DTIC Science & Technology

    2015-06-01

    5110P and 16 dx360M4 nodes each with one NVIDIA Kepler K20M/K40M GPU. Each node contained dual Intel Xeon E5-2670 (Sandy Bridge) central processing...kernel and as such does not employ multiple processors. This work makes use of a single processing core and a single NVIDIA Kepler K40 GK110...bandwidth (2 × 16 slot), 7.877 GFloat/s; Kepler K40 peak, 4,290 × 1 billion floating-point operations (GFLOPs), and 288 GB/s Kepler K40 memory

  15. Particle models for discrete element modeling of bulk grain properties of wheat kernels

    USDA-ARS?s Scientific Manuscript database

    Recent research has shown the potential of discrete element method (DEM) in simulating grain flow in bulk handling systems. Research has also revealed that simulation of grain flow with DEM requires establishment of appropriate particle models for each grain type. This research completes the three-p...

  16. TIME-DOMAIN METHODS FOR DIFFUSIVE TRANSPORT IN SOFT MATTER

    PubMed Central

    Fricks, John; Yao, Lingxing; Elston, Timothy C.; Gregory Forest, And M.

    2015-01-01

    Passive microrheology [12] utilizes measurements of noisy, entropic fluctuations (i.e., diffusive properties) of micron-scale spheres in soft matter to infer bulk frequency-dependent loss and storage moduli. Here, we are concerned exclusively with diffusion of Brownian particles in viscoelastic media, for which the Mason-Weitz theoretical-experimental protocol is ideal, and the more challenging inference of bulk viscoelastic moduli is decoupled. The diffusive theory begins with a generalized Langevin equation (GLE) with a memory drag law specified by a kernel [7, 16, 22, 23]. We start with a discrete formulation of the GLE as an autoregressive stochastic process governing microbead paths measured by particle tracking. For the inverse problem (recovery of the memory kernel from experimental data) we apply time series analysis (maximum likelihood estimators via the Kalman filter) directly to bead position data, an alternative to formulas based on mean-squared displacement statistics in frequency space. For direct modeling, we present statistically exact GLE algorithms for individual particle paths as well as statistical correlations for displacement and velocity. Our time-domain methods rest upon a generalization of well-known results for a single-mode exponential kernel [1, 7, 22, 23] to an arbitrary M-mode exponential series, for which the GLE is transformed to a vector Ornstein-Uhlenbeck process. PMID:26412904

  17. Investigation of various energy deposition kernel refinements for the convolution/superposition method

    PubMed Central

    Huang, Jessie Y.; Eklund, David; Childress, Nathan L.; Howell, Rebecca M.; Mirkovic, Dragan; Followill, David S.; Kry, Stephen F.

    2013-01-01

    Purpose: Several simplifications used in clinical implementations of the convolution/superposition (C/S) method, specifically, density scaling of water kernels for heterogeneous media and use of a single polyenergetic kernel, lead to dose calculation inaccuracies. Although these weaknesses of the C/S method are known, it is not well known which of these simplifications has the largest effect on dose calculation accuracy in clinical situations. The purpose of this study was to generate and characterize high-resolution, polyenergetic, and material-specific energy deposition kernels (EDKs), as well as to investigate the dosimetric impact of implementing spatially variant polyenergetic and material-specific kernels in a collapsed cone C/S algorithm. Methods: High-resolution, monoenergetic water EDKs and various material-specific EDKs were simulated using the EGSnrc Monte Carlo code. Polyenergetic kernels, reflecting the primary spectrum of a clinical 6 MV photon beam at different locations in a water phantom, were calculated for different depths, field sizes, and off-axis distances. To investigate the dosimetric impact of implementing spatially variant polyenergetic kernels, depth dose curves in water were calculated using two different implementations of the collapsed cone C/S method. The first method uses a single polyenergetic kernel, while the second method fully takes into account spectral changes in the convolution calculation. To investigate the dosimetric impact of implementing material-specific kernels, depth dose curves were calculated for a simplified titanium implant geometry using both a traditional C/S implementation that performs density scaling of water kernels and a novel implementation using material-specific kernels. Results: For our high-resolution kernels, we found good agreement with the Mackie et al. kernels, with some differences near the interaction site for low photon energies (<500 keV). For our spatially variant polyenergetic kernels, we found that depth was the most dominant factor affecting the pattern of energy deposition; however, the effects of field size and off-axis distance were not negligible. For the material-specific kernels, we found that as the density of the material increased, more energy was deposited laterally by charged particles, as opposed to in the forward direction. Thus, density scaling of water kernels becomes a worse approximation as the density and the effective atomic number of the material differ more from water. Implementation of spatially variant, polyenergetic kernels increased the percent depth dose value at 25 cm depth by 2.1%–5.8% depending on the field size, while implementation of titanium kernels gave 4.9% higher dose upstream of the metal cavity (i.e., higher backscatter dose) and 8.2% lower dose downstream of the cavity. Conclusions: Of the various kernel refinements investigated, inclusion of depth-dependent and metal-specific kernels into the C/S method has the greatest potential to improve dose calculation accuracy. Implementation of spatially variant polyenergetic kernels resulted in a harder depth dose curve and thus has the potential to affect beam modeling parameters obtained in the commissioning process. For metal implants, the C/S algorithms generally underestimate the dose upstream and overestimate the dose downstream of the implant. Implementation of a metal-specific kernel mitigated both of these errors. PMID:24320507

  18. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Martin, William R.; Lee, John C.; baxter, Alan

    Information and measured data from the intial Fort St. Vrain (FSV) high temperature gas reactor core is used to develop a benchmark configuration to validate computational methods for analysis of a full-core, commercial HTR configuration. Large uncertainties in the geometry and composition data for the FSV fuel and core are identified, including: (1) the relative numbers of fuel particles for the four particle types, (2) the distribution of fuel kernel diameters for the four particle types, (3) the Th:U ratio in the initial FSV core, (4) and the buffer thickness for the fissile and fertile particles. Sensitivity studies were performedmore » to assess each of these uncertainties. A number of methods were developed to assist in these studies, including: (1) the automation of MCNP5 input files for FSV using Python scripts, (2) a simple method to verify isotopic loadings in MCNP5 input files, (3) an automated procedure to conduct a coupled MCNP5-RELAP5 analysis for a full-core FSV configuration with thermal-hydraulic feedback, and (4) a methodology for sampling kernel diameters from arbitrary power law and Gaussian PDFs that preserved fuel loading and packing factor constraints. A reference FSV fuel configuration was developed based on having a single diameter kernel for each of the four particle types, preserving known uranium and thorium loadings and packing factor (58%). Three fuel models were developed, based on representing the fuel as a mixture of kernels with two diameters, four diameters, or a continuous range of diameters. The fuel particles were put into a fuel compact using either a lattice-bsed approach or a stochastic packing methodology from RPI, and simulated with MCNP5. The results of the sensitivity studies indicated that the uncertainties in the relative numbers and sizes of fissile and fertile kernels were not important nor were the distributions of kernel diameters within their diameter ranges. The uncertainty in the Th:U ratio in the intial FSV core was found to be important with a crude study. The uncertainty in the TRISO buffer thickness was estimated to be unimportant but the study was not conclusive. FSV fuel compacts and a regular FSV fuel element were analyzed with MCNP5 and compared with predictions using a modified version of HELIOS that is capable of analyzing TRISO fuel configurations. The HELIOS analyses were performed by SSP. The eigenvalue discrepancies between HELIOS and MCNP5 are currently on the order of 1% but these are still being evaluated. Full-core FSV configurations were developed for two initial critical configurations - a cold, clean critical loading and a critical configuration at 70% power. MCNP5 predictions are compared to experimental data and the results are mixed. Analyses were also done for the pulsed neutron experiments that were conducted by GA for the initial FSV core. MCNP5 was used to model these experiments and reasonable agreement with measured results has been observed.« less

  19. A particle swarm optimized kernel-based clustering method for crop mapping from multi-temporal polarimetric L-band SAR observations

    NASA Astrophysics Data System (ADS)

    Tamiminia, Haifa; Homayouni, Saeid; McNairn, Heather; Safari, Abdoreza

    2017-06-01

    Polarimetric Synthetic Aperture Radar (PolSAR) data, thanks to their specific characteristics such as high resolution, weather and daylight independence, have become a valuable source of information for environment monitoring and management. The discrimination capability of observations acquired by these sensors can be used for land cover classification and mapping. The aim of this paper is to propose an optimized kernel-based C-means clustering algorithm for agriculture crop mapping from multi-temporal PolSAR data. Firstly, several polarimetric features are extracted from preprocessed data. These features are linear polarization intensities, and several statistical and physical based decompositions such as Cloude-Pottier, Freeman-Durden and Yamaguchi techniques. Then, the kernelized version of hard and fuzzy C-means clustering algorithms are applied to these polarimetric features in order to identify crop types. The kernel function, unlike the conventional partitioning clustering algorithms, simplifies the non-spherical and non-linearly patterns of data structure, to be clustered easily. In addition, in order to enhance the results, Particle Swarm Optimization (PSO) algorithm is used to tune the kernel parameters, cluster centers and to optimize features selection. The efficiency of this method was evaluated by using multi-temporal UAVSAR L-band images acquired over an agricultural area near Winnipeg, Manitoba, Canada, during June and July in 2012. The results demonstrate more accurate crop maps using the proposed method when compared to the classical approaches, (e.g. 12% improvement in general). In addition, when the optimization technique is used, greater improvement is observed in crop classification, e.g. 5% in overall. Furthermore, a strong relationship between Freeman-Durden volume scattering component, which is related to canopy structure, and phenological growth stages is observed.

  20. Application of stochastic weighted algorithms to a multidimensional silica particle model

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Menz, William J.; Patterson, Robert I.A.; Wagner, Wolfgang

    2013-09-01

    Highlights: •Stochastic weighted algorithms (SWAs) are developed for a detailed silica model. •An implementation of SWAs with the transition kernel is presented. •The SWAs’ solutions converge to the direct simulation algorithm’s (DSA) solution. •The efficiency of SWAs is evaluated for this multidimensional particle model. •It is shown that SWAs can be used for coagulation problems in industrial systems. -- Abstract: This paper presents a detailed study of the numerical behaviour of stochastic weighted algorithms (SWAs) using the transition regime coagulation kernel and a multidimensional silica particle model. The implementation in the SWAs of the transition regime coagulation kernel and associatedmore » majorant rates is described. The silica particle model of Shekar et al. [S. Shekar, A.J. Smith, W.J. Menz, M. Sander, M. Kraft, A multidimensional population balance model to describe the aerosol synthesis of silica nanoparticles, Journal of Aerosol Science 44 (2012) 83–98] was used in conjunction with this coagulation kernel to study the convergence properties of SWAs with a multidimensional particle model. High precision solutions were calculated with two SWAs and also with the established direct simulation algorithm. These solutions, which were generated using large number of computational particles, showed close agreement. It was thus demonstrated that SWAs can be successfully used with complex coagulation kernels and high dimensional particle models to simulate real-world systems.« less

  1. Occurrence of 'super soft' wheat kernel texture in hexaploid and tetraploid wheats

    USDA-ARS?s Scientific Manuscript database

    Wheat kernel texture is a key trait that governs milling performance, flour starch damage, flour particle size, flour hydration properties, and baking quality. Kernel texture is commonly measured using the Perten Single Kernel Characterization System (SKCS). The SKCS returns texture values (Hardness...

  2. A fast object-oriented Matlab implementation of the Reproducing Kernel Particle Method

    NASA Astrophysics Data System (ADS)

    Barbieri, Ettore; Meo, Michele

    2012-05-01

    Novel numerical methods, known as Meshless Methods or Meshfree Methods and, in a wider perspective, Partition of Unity Methods, promise to overcome most of disadvantages of the traditional finite element techniques. The absence of a mesh makes meshfree methods very attractive for those problems involving large deformations, moving boundaries and crack propagation. However, meshfree methods still have significant limitations that prevent their acceptance among researchers and engineers, namely the computational costs. This paper presents an in-depth analysis of computational techniques to speed-up the computation of the shape functions in the Reproducing Kernel Particle Method and Moving Least Squares, with particular focus on their bottlenecks, like the neighbour search, the inversion of the moment matrix and the assembly of the stiffness matrix. The paper presents numerous computational solutions aimed at a considerable reduction of the computational times: the use of kd-trees for the neighbour search, sparse indexing of the nodes-points connectivity and, most importantly, the explicit and vectorized inversion of the moment matrix without using loops and numerical routines.

  3. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pavlou, A. T.; Betzler, B. R.; Burke, T. P.

    Uncertainties in the composition and fabrication of fuel compacts for the Fort St. Vrain (FSV) high temperature gas reactor have been studied by performing eigenvalue sensitivity studies that represent the key uncertainties for the FSV neutronic analysis. The uncertainties for the TRISO fuel kernels were addressed by developing a suite of models for an 'average' FSV fuel compact that models the fuel as (1) a mixture of two different TRISO fuel particles representing fissile and fertile kernels, (2) a mixture of four different TRISO fuel particles representing small and large fissile kernels and small and large fertile kernels and (3)more » a stochastic mixture of the four types of fuel particles where every kernel has its diameter sampled from a continuous probability density function. All of the discrete diameter and continuous diameter fuel models were constrained to have the same fuel loadings and packing fractions. For the non-stochastic discrete diameter cases, the MCNP compact model arranged the TRISO fuel particles on a hexagonal honeycomb lattice. This lattice-based fuel compact was compared to a stochastic compact where the locations (and kernel diameters for the continuous diameter cases) of the fuel particles were randomly sampled. Partial core configurations were modeled by stacking compacts into fuel columns containing graphite. The differences in eigenvalues between the lattice-based and stochastic models were small but the runtime of the lattice-based fuel model was roughly 20 times shorter than with the stochastic-based fuel model. (authors)« less

  4. The complex variable reproducing kernel particle method for bending problems of thin plates on elastic foundations

    NASA Astrophysics Data System (ADS)

    Chen, L.; Cheng, Y. M.

    2018-07-01

    In this paper, the complex variable reproducing kernel particle method (CVRKPM) for solving the bending problems of isotropic thin plates on elastic foundations is presented. In CVRKPM, one-dimensional basis function is used to obtain the shape function of a two-dimensional problem. CVRKPM is used to form the approximation function of the deflection of the thin plates resting on elastic foundation, the Galerkin weak form of thin plates on elastic foundation is employed to obtain the discretized system equations, the penalty method is used to apply the essential boundary conditions, and Winkler and Pasternak foundation models are used to consider the interface pressure between the plate and the foundation. Then the corresponding formulae of CVRKPM for thin plates on elastic foundations are presented in detail. Several numerical examples are given to discuss the efficiency and accuracy of CVRKPM in this paper, and the corresponding advantages of the present method are shown.

  5. Pixel-based meshfree modelling of skeletal muscles.

    PubMed

    Chen, Jiun-Shyan; Basava, Ramya Rao; Zhang, Yantao; Csapo, Robert; Malis, Vadim; Sinha, Usha; Hodgson, John; Sinha, Shantanu

    2016-01-01

    This paper introduces the meshfree Reproducing Kernel Particle Method (RKPM) for 3D image-based modeling of skeletal muscles. This approach allows for construction of simulation model based on pixel data obtained from medical images. The material properties and muscle fiber direction obtained from Diffusion Tensor Imaging (DTI) are input at each pixel point. The reproducing kernel (RK) approximation allows a representation of material heterogeneity with smooth transition. A multiphase multichannel level set based segmentation framework is adopted for individual muscle segmentation using Magnetic Resonance Images (MRI) and DTI. The application of the proposed methods for modeling the human lower leg is demonstrated.

  6. Data Compilation for AGR-3/4 Designed-to-Fail (DTF) Fuel Particle Batch LEU04-02DTF

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hunn, John D; Miller, James Henry

    2008-10-01

    This document is a compilation of coating and characterization data for the AGR-3/4 designed-to-fail (DTF) particles. The DTF coating is a high density, high anisotropy pyrocarbon coating of nominal 20 {micro}m thickness that is deposited directly on the kernel. The purpose of this coating is to fail early in the irradiation, resulting in a controlled release of fission products which can be analyzed to provide data on fission product transport. A small number of DTF particles will be included with standard TRISO driver fuel particles in the AGR-3 and AGR-4 compacts. The ORNL Coated Particle Fuel Development Laboratory 50-mm diametermore » fluidized bed coater was used to coat the DTF particles. The coatings were produced using procedures and process parameters that were developed in an earlier phase of the project as documented in 'Summary Report on the Development of Procedures for the Fabrication of AGR-3/4 Design-to-Fail Particles', ORNL/TM-2008/161. Two coating runs were conducted using the approved coating parameters. NUCO425-06DTF was a final process qualification batch using natural enrichment uranium carbide/uranium oxide (UCO) kernels. After the qualification run, LEU04-02DTF was produced using low enriched UCO kernels. Both runs were inspected and determined to meet the specifications for DTF particles in section 5 of the AGR-3 & 4 Fuel Product Specification (EDF-6638, Rev.1). Table 1 provides a summary of key properties of the DTF layer. For comparison purposes, an archive sample of DTF particles produced by General Atomics was characterized using identical methods. This data is also summarized in Table 1.« less

  7. A shock-capturing SPH scheme based on adaptive kernel estimation

    NASA Astrophysics Data System (ADS)

    Sigalotti, Leonardo Di G.; López, Hender; Donoso, Arnaldo; Sira, Eloy; Klapp, Jaime

    2006-02-01

    Here we report a method that converts standard smoothed particle hydrodynamics (SPH) into a working shock-capturing scheme without relying on solutions to the Riemann problem. Unlike existing adaptive SPH simulations, the present scheme is based on an adaptive kernel estimation of the density, which combines intrinsic features of both the kernel and nearest neighbor approaches in a way that the amount of smoothing required in low-density regions is effectively controlled. Symmetrized SPH representations of the gas dynamic equations along with the usual kernel summation for the density are used to guarantee variational consistency. Implementation of the adaptive kernel estimation involves a very simple procedure and allows for a unique scheme that handles strong shocks and rarefactions the same way. Since it represents a general improvement of the integral interpolation on scattered data, it is also applicable to other fluid-dynamic models. When the method is applied to supersonic compressible flows with sharp discontinuities, as in the classical one-dimensional shock-tube problem and its variants, the accuracy of the results is comparable, and in most cases superior, to that obtained from high quality Godunov-type methods and SPH formulations based on Riemann solutions. The extension of the method to two- and three-space dimensions is straightforward. In particular, for the two-dimensional cylindrical Noh's shock implosion and Sedov point explosion problems the present scheme produces much better results than those obtained with conventional SPH codes.

  8. Accelerating population balance-Monte Carlo simulation for coagulation dynamics from the Markov jump model, stochastic algorithm and GPU parallel computing

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xu, Zuwei; Zhao, Haibo, E-mail: klinsmannzhb@163.com; Zheng, Chuguang

    2015-01-15

    This paper proposes a comprehensive framework for accelerating population balance-Monte Carlo (PBMC) simulation of particle coagulation dynamics. By combining Markov jump model, weighted majorant kernel and GPU (graphics processing unit) parallel computing, a significant gain in computational efficiency is achieved. The Markov jump model constructs a coagulation-rule matrix of differentially-weighted simulation particles, so as to capture the time evolution of particle size distribution with low statistical noise over the full size range and as far as possible to reduce the number of time loopings. Here three coagulation rules are highlighted and it is found that constructing appropriate coagulation rule providesmore » a route to attain the compromise between accuracy and cost of PBMC methods. Further, in order to avoid double looping over all simulation particles when considering the two-particle events (typically, particle coagulation), the weighted majorant kernel is introduced to estimate the maximum coagulation rates being used for acceptance–rejection processes by single-looping over all particles, and meanwhile the mean time-step of coagulation event is estimated by summing the coagulation kernels of rejected and accepted particle pairs. The computational load of these fast differentially-weighted PBMC simulations (based on the Markov jump model) is reduced greatly to be proportional to the number of simulation particles in a zero-dimensional system (single cell). Finally, for a spatially inhomogeneous multi-dimensional (multi-cell) simulation, the proposed fast PBMC is performed in each cell, and multiple cells are parallel processed by multi-cores on a GPU that can implement the massively threaded data-parallel tasks to obtain remarkable speedup ratio (comparing with CPU computation, the speedup ratio of GPU parallel computing is as high as 200 in a case of 100 cells with 10 000 simulation particles per cell). These accelerating approaches of PBMC are demonstrated in a physically realistic Brownian coagulation case. The computational accuracy is validated with benchmark solution of discrete-sectional method. The simulation results show that the comprehensive approach can attain very favorable improvement in cost without sacrificing computational accuracy.« less

  9. Extraction process of palm kernel cake as a source of mannan for feed additive on poultry diet

    NASA Astrophysics Data System (ADS)

    Tafsin, M.; Hanafi, N. D.; Yusraini, E.

    2017-05-01

    Palm Kernel Cake (PKC) is a by-product of palm kernel oil extraction and found in large quantity in Indonesia. The inclusion of PKC on poultry diet are limited due to some nutritional problems such as anti-nutritional properties (mannan). On the other hand, mannan containing polysaccharides play in various biological functions particularly in enhancing the immune response and to control pathogen in poultry. The research objective to find out the extraction process of PKC and conducted at animal nutrition and Feed Science Laboratory, Agricultural Faculty, University of Sumatera Utara. Various extraction methode were used in this experiment, including fraction analysis used 7 number sieves, and followed by water and acetic acid extraction. The result indicated that PKC had different particle size according to sieve size and dominated by particle size 850 um. The analysis of sugar content indicated that each particle size had different characteristic on treatment by hot water extraction. The particle size 180—850 um had higher sugar content than coarse PKC (2000—3000 um). The total sugar content were recovered vary between 0.9—3,2% from PKC were extracted. Treatment grinding method followed by hot water extraction (100—120 °C, 1 h) increased total sugar content than previous treatments and reach 8% from PKC were extracted. Utilisation acetic acid decreased the total amount of total sugar from PKC were extracted. It is concluded that treatment by hot temperature (110—120 °C) for 1 h show highest yield to extract sugar from PKC.

  10. Preparation of uranium fuel kernels with silicon carbide nanoparticles using the internal gelation process

    NASA Astrophysics Data System (ADS)

    Hunt, R. D.; Silva, G. W. C. M.; Lindemer, T. B.; Anderson, K. K.; Collins, J. L.

    2012-08-01

    The US Department of Energy continues to use the internal gelation process in its preparation of tristructural isotropic coated fuel particles. The focus of this work is to develop uranium fuel kernels with adequately dispersed silicon carbide (SiC) nanoparticles, high crush strengths, uniform particle diameter, and good sphericity. During irradiation to high burnup, the SiC in the uranium kernels will serve as getters for excess oxygen and help control the oxygen potential in order to minimize the potential for kernel migration. The hardness of SiC required modifications to the gelation system that was used to make uranium kernels. Suitable processing conditions and potential equipment changes were identified so that the SiC could be homogeneously dispersed in gel spheres. Finally, dilute hydrogen rather than argon should be used to sinter the uranium kernels with SiC.

  11. Handling Density Conversion in TPS.

    PubMed

    Isobe, Tomonori; Mori, Yutaro; Takei, Hideyuki; Sato, Eisuke; Tadano, Kiichi; Kobayashi, Daisuke; Tomita, Tetsuya; Sakae, Takeji

    2016-01-01

    Conversion from CT value to density is essential to a radiation treatment planning system. Generally CT value is converted to the electron density in photon therapy. In the energy range of therapeutic photon, interactions between photons and materials are dominated with Compton scattering which the cross-section depends on the electron density. The dose distribution is obtained by calculating TERMA and kernel using electron density where TERMA is the energy transferred from primary photons and kernel is a volume considering spread electrons. Recently, a new method was introduced which uses the physical density. This method is expected to be faster and more accurate than that using the electron density. As for particle therapy, dose can be calculated with CT-to-stopping power conversion since the stopping power depends on the electron density. CT-to-stopping power conversion table is also called as CT-to-water-equivalent range and is an essential concept for the particle therapy.

  12. Influence of wheat kernel physical properties on the pulverizing process.

    PubMed

    Dziki, Dariusz; Cacak-Pietrzak, Grażyna; Miś, Antoni; Jończyk, Krzysztof; Gawlik-Dziki, Urszula

    2014-10-01

    The physical properties of wheat kernel were determined and related to pulverizing performance by correlation analysis. Nineteen samples of wheat cultivars about similar level of protein content (11.2-12.8 % w.b.) and obtained from organic farming system were used for analysis. The kernel (moisture content 10 % w.b.) was pulverized by using the laboratory hammer mill equipped with round holes 1.0 mm screen. The specific grinding energy ranged from 120 kJkg(-1) to 159 kJkg(-1). On the basis of data obtained many of significant correlations (p < 0.05) were found between wheat kernel physical properties and pulverizing process of wheat kernel, especially wheat kernel hardness index (obtained on the basis of Single Kernel Characterization System) and vitreousness significantly and positively correlated with the grinding energy indices and the mass fraction of coarse particles (> 0.5 mm). Among the kernel mechanical properties determined on the basis of uniaxial compression test only the rapture force was correlated with the impact grinding results. The results showed also positive and significant relationships between kernel ash content and grinding energy requirements. On the basis of wheat physical properties the multiple linear regression was proposed for predicting the average particle size of pulverized kernel.

  13. Carbothermic Synthesis of 820 m UN Kernels: Literature Review, Thermodynamics, Analysis, and Related Experiments

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lindemer, Terrence; Voit, Stewart L; Silva, Chinthaka M

    2014-01-01

    The U.S. Department of Energy is considering a new nuclear fuel that would be less susceptible to ruptures during a loss-of-coolant accident. The fuel would consist of tristructural isotropic coated particles with large, dense uranium nitride (UN) kernels. This effort explores many factors involved in using gel-derived uranium oxide-carbon microspheres to make large UN kernels. Analysis of recent studies with sufficient experimental details is provided. Extensive thermodynamic calculations are used to predict carbon monoxide and other pressures for several different reactions that may be involved in conversion of uranium oxides and carbides to UN. Experimentally, the method for making themore » gel-derived microspheres is described. These were used in a microbalance with an attached mass spectrometer to determine details of carbothermic conversion in argon, nitrogen, or vacuum. A quantitative model is derived from experiments for vacuum conversion to an uranium oxide-carbide kernel.« less

  14. [Study on application of SVM in prediction of coronary heart disease].

    PubMed

    Zhu, Yue; Wu, Jianghua; Fang, Ying

    2013-12-01

    Base on the data of blood pressure, plasma lipid, Glu and UA by physical test, Support Vector Machine (SVM) was applied to identify coronary heart disease (CHD) in patients and non-CHD individuals in south China population for guide of further prevention and treatment of the disease. Firstly, the SVM classifier was built using radial basis kernel function, liner kernel function and polynomial kernel function, respectively. Secondly, the SVM penalty factor C and kernel parameter sigma were optimized by particle swarm optimization (PSO) and then employed to diagnose and predict the CHD. By comparison with those from artificial neural network with the back propagation (BP) model, linear discriminant analysis, logistic regression method and non-optimized SVM, the overall results of our calculation demonstrated that the classification performance of optimized RBF-SVM model could be superior to other classifier algorithm with higher accuracy rate, sensitivity and specificity, which were 94.51%, 92.31% and 96.67%, respectively. So, it is well concluded that SVM could be used as a valid method for assisting diagnosis of CHD.

  15. Ceramography of Irradiated tristructural isotropic (TRISO) Fuel from the AGR-2 Experiment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rice, Francine Joyce; Stempien, John Dennis

    2016-09-01

    Ceramography was performed on cross sections from four tristructural isotropic (TRISO) coated particle fuel compacts taken from the AGR-2 experiment, which was irradiated between June 2010 and October 2013 in the Advanced Test Reactor (ATR). The fuel compacts examined in this study contained TRISO-coated particles with either uranium oxide (UO2) kernels or uranium oxide/uranium carbide (UCO) kernels that were irradiated to final burnup values between 9.0 and 11.1% FIMA. These examinations are intended to explore kernel and coating morphology evolution during irradiation. This includes kernel porosity, swelling, and migration, and irradiation-induced coating fracture and separation. Variations in behavior within amore » specific cross section, which could be related to temperature or burnup gradients within the fuel compact, are also explored. The criteria for categorizing post-irradiation particle morphologies developed for AGR-1 ceramographic exams, was applied to the particles in the AGR-2 compacts particles examined. Results are compared with similar investigations performed as part of the earlier AGR-1 irradiation experiment. This paper presents the results of the AGR-2 examinations and discusses the key implications for fuel irradiation performance.« less

  16. Thermochemical Assessment of Oxygen Gettering by SiC or ZrC in PuO2-x TRISO Fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Besmann, Theodore M

    2010-01-01

    Particulate nuclear fuel in a modular helium reactor is being considered for the consumption of excess plutonium and related transuranics. In particular, efforts to largely consume transuranics in a single-pass will require the fuel to undergo very high burnup. This deep burn concept will thus make the proposed plutonia TRISO fuel particularly likely to suffer kernel migration where carbon in the buffer layer and inner pyrolytic carbon layer is transported from the high temperature side of the particle to the low temperature side. This phenomenon is oberved to cause particle failure and therefore must be mitigated. The addition of SiCmore » or ZrC in the oxide kernel or in a layer in communication with the kernel will lower the oxygen potential and therefore prevent kernel migration, and this has been demonstrated with SiC. In this work a thermochemical analysis was performed to predict oxygen potential behavior in the plutonia TRISO fuel to burnups of 50% FIMA with and without the presence of oxygen gettering SiC and ZrC. Kernel migration is believed to be controlled by CO gas transporting carbon from the hot side to the cool side, and CO pressure is governed by the oxygen potential in the presence of carbon. The gettering phases significantly reduce the oxygen potential and thus CO pressure in an otherwise PuO2-x kernel, and prevent kernel migration by limiting CO gas diffusion through the buffer layer. The reduction in CO pressure can also reduce the peak pressure within the particles by ~50%, thus reducing the likelihood of pressure-induced particle failure. A model for kernel migration was used to semi-quantitatively assess the effect of controlling oxygen potential with SiC or ZrC and did demonstrated the dramatic effect of the addition of these phases on carbon transport.« less

  17. Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics.

    PubMed

    van den Broek, Karina; Kuhn, Hubert; Zielesny, Achim

    2018-05-21

    Jdpd is an open Java simulation kernel for Molecular Fragment Dissipative Particle Dynamics with parallelizable force calculation, efficient caching options and fast property calculations. It is characterized by an interface and factory-pattern driven design for simple code changes and may help to avoid problems of polyglot programming. Detailed input/output communication, parallelization and process control as well as internal logging capabilities for debugging purposes are supported. The new kernel may be utilized in different simulation environments ranging from flexible scripting solutions up to fully integrated "all-in-one" simulation systems.

  18. Extension of moment projection method to the fragmentation process

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Shaohua; Yapp, Edward K.Y.; Akroyd, Jethro

    2017-04-15

    The method of moments is a simple but efficient method of solving the population balance equation which describes particle dynamics. Recently, the moment projection method (MPM) was proposed and validated for particle inception, coagulation, growth and, more importantly, shrinkage; here the method is extended to include the fragmentation process. The performance of MPM is tested for 13 different test cases for different fragmentation kernels, fragment distribution functions and initial conditions. Comparisons are made with the quadrature method of moments (QMOM), hybrid method of moments (HMOM) and a high-precision stochastic solution calculated using the established direct simulation algorithm (DSA) and advantagesmore » of MPM are drawn.« less

  19. Norm overlap between many-body states: Uncorrelated overlap between arbitrary Bogoliubov product states

    NASA Astrophysics Data System (ADS)

    Bally, B.; Duguet, T.

    2018-02-01

    Background: State-of-the-art multi-reference energy density functional calculations require the computation of norm overlaps between different Bogoliubov quasiparticle many-body states. It is only recently that the efficient and unambiguous calculation of such norm kernels has become available under the form of Pfaffians [L. M. Robledo, Phys. Rev. C 79, 021302 (2009), 10.1103/PhysRevC.79.021302]. Recently developed particle-number-restored Bogoliubov coupled-cluster (PNR-BCC) and particle-number-restored Bogoliubov many-body perturbation (PNR-BMBPT) ab initio theories [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] make use of generalized norm kernels incorporating explicit many-body correlations. In PNR-BCC and PNR-BMBPT, the Bogoliubov states involved in the norm kernels differ specifically via a global gauge rotation. Purpose: The goal of this work is threefold. We wish (i) to propose and implement an alternative to the Pfaffian method to compute unambiguously the norm overlap between arbitrary Bogoliubov quasiparticle states, (ii) to extend the first point to explicitly correlated norm kernels, and (iii) to scrutinize the analytical content of the correlated norm kernels employed in PNR-BMBPT. Point (i) constitutes the purpose of the present paper while points (ii) and (iii) are addressed in a forthcoming paper. Methods: We generalize the method used in another work [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] in such a way that it is applicable to kernels involving arbitrary pairs of Bogoliubov states. The formalism is presently explicated in detail in the case of the uncorrelated overlap between arbitrary Bogoliubov states. The power of the method is numerically illustrated and benchmarked against known results on the basis of toy models of increasing complexity. Results: The norm overlap between arbitrary Bogoliubov product states is obtained under a closed-form expression allowing its computation without any phase ambiguity. The formula is physically intuitive, accurate, and versatile. It equally applies to norm overlaps between Bogoliubov states of even or odd number parity. Numerical applications illustrate these features and provide a transparent representation of the content of the norm overlaps. Conclusions: The complex norm overlap between arbitrary Bogoliubov states is computed, without any phase ambiguity, via elementary linear algebra operations. The method can be used in any configuration mixing of orthogonal and non-orthogonal product states. Furthermore, the closed-form expression extends naturally to correlated overlaps at play in PNR-BCC and PNR-BMBPT. As such, the straight overlap between Bogoliubov states is the zero-order reduction of more involved norm kernels to be studied in a forthcoming paper.

  20. Safety Testing of AGR-2 UCO Compacts 5-2-2, 2-2-2, and 5-4-1

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hunn, John D.; Morris, Robert Noel; Baldwin, Charles A.

    2016-08-01

    Post-irradiation examination (PIE) is being performed on tristructural-isotropic (TRISO) coated-particle fuel compacts from the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program second irradiation experiment (AGR-2). This effort builds upon the understanding acquired throughout the AGR-1 PIE campaign, and is establishing a database for the different AGR-2 fuel designs. The AGR-2 irradiation experiment included TRISO fuel particles coated at BWX Technologies (BWXT) with a 150-mm-diameter engineering-scale coater. Two coating batches were tested in the AGR-2 irradiation experiment. Batch 93085 had 508-μm-diameter uranium dioxide (UO 2) kernels. Batch 93073 had 427-μm-diameter UCO kernels, which is a kernel design where somemore » of the uranium oxide is converted to uranium carbide during fabrication to provide a getter for oxygen liberated during fission and limit CO production. Fabrication and property data for the AGR-2 coating batches have been compiled and compared to those for AGR-1. The AGR-2 TRISO coatings were most like the AGR-1 Variant 3 TRISO deposited in the 50-mm-diameter ORNL lab-scale coater. In both cases argon-dilution of the hydrogen and methyltrichlorosilane coating gas mixture employed to deposit the SiC was used to produce a finer-grain, more equiaxed SiC microstructure. In addition to the fact that AGR-1 fuel had smaller, 350-μm-diameter UCO kernels, notable differences in the TRISO particle properties included the pyrocarbon anisotropy, which was slightly higher in the particles coated in the engineering-scale coater, and the exposed kernel defect fraction, which was higher for AGR-2 fuel due to the detected presence of particles with impact damage introduced during TRISO particle handling.« less

  1. Revisiting the use of the immersed-boundary lattice-Boltzmann method for simulations of suspended particles

    NASA Astrophysics Data System (ADS)

    Mountrakis, L.; Lorenz, E.; Hoekstra, A. G.

    2017-07-01

    The immersed-boundary lattice-Boltzmann method (IB-LBM) is increasingly being used in simulations of dense suspensions. These systems are computationally very expensive and can strongly benefit from lower resolutions that still maintain the desired accuracy for the quantities of interest. IB-LBM has a number of free parameters that have to be defined, often without exact knowledge of the tradeoffs, since their behavior in low resolutions is not well understood. Such parameters are the lattice constant Δ x , the number of vertices Nv, the interpolation kernel ϕ , and the LBM relaxation time τ . We investigate the effect of these IB-LBM parameters on a number of straightforward but challenging benchmarks. The systems considered are (a) the flow of a single sphere in shear flow, (b) the collision of two spheres in shear flow, and (c) the lubrication interaction of two spheres. All benchmarks are performed in three dimensions. The first two systems are used for determining two effective radii: the hydrodynamic radius rhyd and the particle interaction radius rinter. The last system is used to establish the numerical robustness of the lubrication forces, used to probe the hydrodynamic interactions in the limit of small gaps. Our results show that lower spatial resolutions result in larger hydrodynamic and interaction radii, while surface densities should be chosen above two vertices per LU2 result to prevent fluid penetration in underresolved meshes. Underresolved meshes also failed to produce the migration of particles toward the center of the domain due to lift forces in Couette flow, mostly noticeable for IBM-kernel ϕ2. Kernel ϕ4, despite being more robust toward mesh resolution, produces a notable membrane thickness, leading to the breakdown of the lubrication forces in larger gaps, and its use in dense suspensions where the mean particle distances are small can result in undesired behavior. rhyd is measured to be different from rinter, suggesting that there is no consistent measure to recalibrate the radius of the suspended particle.

  2. Data consistency-driven scatter kernel optimization for x-ray cone-beam CT

    NASA Astrophysics Data System (ADS)

    Kim, Changhwan; Park, Miran; Sung, Younghun; Lee, Jaehak; Choi, Jiyoung; Cho, Seungryong

    2015-08-01

    Accurate and efficient scatter correction is essential for acquisition of high-quality x-ray cone-beam CT (CBCT) images for various applications. This study was conducted to demonstrate the feasibility of using the data consistency condition (DCC) as a criterion for scatter kernel optimization in scatter deconvolution methods in CBCT. As in CBCT, data consistency in the mid-plane is primarily challenged by scatter, we utilized data consistency to confirm the degree of scatter correction and to steer the update in iterative kernel optimization. By means of the parallel-beam DCC via fan-parallel rebinning, we iteratively optimized the scatter kernel parameters, using a particle swarm optimization algorithm for its computational efficiency and excellent convergence. The proposed method was validated by a simulation study using the XCAT numerical phantom and also by experimental studies using the ACS head phantom and the pelvic part of the Rando phantom. The results showed that the proposed method can effectively improve the accuracy of deconvolution-based scatter correction. Quantitative assessments of image quality parameters such as contrast and structure similarity (SSIM) revealed that the optimally selected scatter kernel improves the contrast of scatter-free images by up to 99.5%, 94.4%, and 84.4%, and of the SSIM in an XCAT study, an ACS head phantom study, and a pelvis phantom study by up to 96.7%, 90.5%, and 87.8%, respectively. The proposed method can achieve accurate and efficient scatter correction from a single cone-beam scan without need of any auxiliary hardware or additional experimentation.

  3. Stochastic coalescence in finite systems: an algorithm for the numerical solution of the multivariate master equation.

    NASA Astrophysics Data System (ADS)

    Alfonso, Lester; Zamora, Jose; Cruz, Pedro

    2015-04-01

    The stochastic approach to coagulation considers the coalescence process going in a system of a finite number of particles enclosed in a finite volume. Within this approach, the full description of the system can be obtained from the solution of the multivariate master equation, which models the evolution of the probability distribution of the state vector for the number of particles of a given mass. Unfortunately, due to its complexity, only limited results were obtained for certain type of kernels and monodisperse initial conditions. In this work, a novel numerical algorithm for the solution of the multivariate master equation for stochastic coalescence that works for any type of kernels and initial conditions is introduced. The performance of the method was checked by comparing the numerically calculated particle mass spectrum with analytical solutions obtained for the constant and sum kernels, with an excellent correspondence between the analytical and numerical solutions. In order to increase the speedup of the algorithm, software parallelization techniques with OpenMP standard were used, along with an implementation in order to take advantage of new accelerator technologies. Simulations results show an important speedup of the parallelized algorithms. This study was funded by a grant from Consejo Nacional de Ciencia y Tecnologia de Mexico SEP-CONACYT CB-131879. The authors also thanks LUFAC® Computacion SA de CV for CPU time and all the support provided.

  4. From the Weyl quantization of a particle on the circle to number–phase Wigner functions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Przanowski, Maciej, E-mail: maciej.przanowski@p.lodz.pl; Brzykcy, Przemysław, E-mail: 800289@edu.p.lodz.pl; Tosiek, Jaromir, E-mail: jaromir.tosiek@p.lodz.pl

    2014-12-15

    A generalized Weyl quantization formalism for a particle on the circle is shown to supply an effective method for defining the number–phase Wigner function in quantum optics. A Wigner function for the state ϱ{sup ^} and the kernel K for a particle on the circle is defined and its properties are analysed. Then it is shown how this Wigner function can be easily modified to give the number–phase Wigner function in quantum optics. Some examples of such number–phase Wigner functions are considered.

  5. Large scale Brownian dynamics of confined suspensions of rigid particles

    NASA Astrophysics Data System (ADS)

    Sprinkle, Brennan; Balboa Usabiaga, Florencio; Patankar, Neelesh A.; Donev, Aleksandar

    2017-12-01

    We introduce methods for large-scale Brownian Dynamics (BD) simulation of many rigid particles of arbitrary shape suspended in a fluctuating fluid. Our method adds Brownian motion to the rigid multiblob method [F. Balboa Usabiaga et al., Commun. Appl. Math. Comput. Sci. 11(2), 217-296 (2016)] at a cost comparable to the cost of deterministic simulations. We demonstrate that we can efficiently generate deterministic and random displacements for many particles using preconditioned Krylov iterative methods, if kernel methods to efficiently compute the action of the Rotne-Prager-Yamakawa (RPY) mobility matrix and its "square" root are available for the given boundary conditions. These kernel operations can be computed with near linear scaling for periodic domains using the positively split Ewald method. Here we study particles partially confined by gravity above a no-slip bottom wall using a graphical processing unit implementation of the mobility matrix-vector product, combined with a preconditioned Lanczos iteration for generating Brownian displacements. We address a major challenge in large-scale BD simulations, capturing the stochastic drift term that arises because of the configuration-dependent mobility. Unlike the widely used Fixman midpoint scheme, our methods utilize random finite differences and do not require the solution of resistance problems or the computation of the action of the inverse square root of the RPY mobility matrix. We construct two temporal schemes which are viable for large-scale simulations, an Euler-Maruyama traction scheme and a trapezoidal slip scheme, which minimize the number of mobility problems to be solved per time step while capturing the required stochastic drift terms. We validate and compare these schemes numerically by modeling suspensions of boomerang-shaped particles sedimented near a bottom wall. Using the trapezoidal scheme, we investigate the steady-state active motion in dense suspensions of confined microrollers, whose height above the wall is set by a combination of thermal noise and active flows. We find the existence of two populations of active particles, slower ones closer to the bottom and faster ones above them, and demonstrate that our method provides quantitative accuracy even with relatively coarse resolutions of the particle geometry.

  6. Production of LEU Fully Ceramic Microencapsulated Fuel for Irradiation Testing

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Terrani, Kurt A; Kiggans Jr, James O; McMurray, Jake W

    2016-01-01

    Fully Ceramic Microencapsulated (FCM) fuel consists of tristructural isotropic (TRISO) fuel particles embedded inside a SiC matrix. This fuel inherently possesses multiple barriers to fission product release, namely the various coating layers in the TRISO fuel particle as well as the dense SiC matrix that hosts these particles. This coupled with the excellent oxidation resistance of the SiC matrix and the SiC coating layer in the TRISO particle designate this concept as an accident tolerant fuel (ATF). The FCM fuel takes advantage of uranium nitride kernels instead of oxide or oxide-carbide kernels used in high temperature gas reactors to enhancemore » heavy metal loading in the highly moderated LWRs. Production of these kernels with appropriate density, coating layer development to produce UN TRISO particles, and consolidation of these particles inside a SiC matrix have been codified thanks to significant R&D supported by US DOE Fuel Cycle R&D program. Also, surrogate FCM pellets (pellets with zirconia instead of uranium-bearing kernels) have been neutron irradiated and the stability of the matrix and coating layer under LWR irradiation conditions have been established. Currently the focus is on production of LEU (7.3% U-235 enrichment) FCM pellets to be utilized for irradiation testing. The irradiation is planned at INL s Advanced Test Reactor (ATR). This is a critical step in development of this fuel concept to establish the ability of this fuel to retain fission products under prototypical irradiation conditions.« less

  7. The moving-least-squares-particle hydrodynamics method (MLSPH)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dilts, G.

    1997-12-31

    An enhancement of the smooth-particle hydrodynamics (SPH) method has been developed using the moving-least-squares (MLS) interpolants of Lancaster and Salkauskas which simultaneously relieves the method of several well-known undesirable behaviors, including spurious boundary effects, inaccurate strain and rotation rates, pressure spikes at impact boundaries, and the infamous tension instability. The classical SPH method is derived in a novel manner by means of a Galerkin approximation applied to the Lagrangian equations of motion for continua using as basis functions the SPH kernel function multiplied by the particle volume. This derivation is then modified by simply substituting the MLS interpolants for themore » SPH Galerkin basis, taking care to redefine the particle volume and mass appropriately. The familiar SPH kernel approximation is now equivalent to a colocation-Galerkin method. Both classical conservative and recent non-conservative formulations of SPH can be derived and emulated. The non-conservative forms can be made conservative by adding terms that are zero within the approximation at the expense of boundary-value considerations. The familiar Monaghan viscosity is used. Test calculations of uniformly expanding fluids, the Swegle example, spinning solid disks, impacting bars, and spherically symmetric flow illustrate the superiority of the technique over SPH. In all cases it is seen that the marvelous ability of the MLS interpolants to add up correctly everywhere civilizes the noisy, unpredictable nature of SPH. Being a relatively minor perturbation of the SPH method, it is easily retrofitted into existing SPH codes. On the down side, computational expense at this point is significant, the Monaghan viscosity undoes the contribution of the MLS interpolants, and one-point quadrature (colocation) is not accurate enough. Solutions to these difficulties are being pursued vigorously.« less

  8. TURBULENCE-INDUCED RELATIVE VELOCITY OF DUST PARTICLES. IV. THE COLLISION KERNEL

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pan, Liubin; Padoan, Paolo, E-mail: lpan@cfa.harvard.edu, E-mail: ppadoan@icc.ub.edu

    Motivated by its importance for modeling dust particle growth in protoplanetary disks, we study turbulence-induced collision statistics of inertial particles as a function of the particle friction time, τ{sub p}. We show that turbulent clustering significantly enhances the collision rate for particles of similar sizes with τ{sub p} corresponding to the inertial range of the flow. If the friction time, τ{sub p,} {sub h}, of the larger particle is in the inertial range, the collision kernel per unit cross section increases with increasing friction time, τ{sub p,} {sub l}, of the smaller particle and reaches the maximum at τ{sub p,}more » {sub l} = τ{sub p,} {sub h}, where the clustering effect peaks. This feature is not captured by the commonly used kernel formula, which neglects the effect of clustering. We argue that turbulent clustering helps alleviate the bouncing barrier problem for planetesimal formation. We also investigate the collision velocity statistics using a collision-rate weighting factor to account for higher collision frequency for particle pairs with larger relative velocity. For τ{sub p,} {sub h} in the inertial range, the rms relative velocity with collision-rate weighting is found to be invariant with τ{sub p,} {sub l} and scales with τ{sub p,} {sub h} roughly as ∝ τ{sub p,h}{sup 1/2}. The weighting factor favors collisions with larger relative velocity, and including it leads to more destructive and less sticking collisions. We compare two collision kernel formulations based on spherical and cylindrical geometries. The two formulations give consistent results for the collision rate and the collision-rate weighted statistics, except that the spherical formulation predicts more head-on collisions than the cylindrical formulation.« less

  9. Microscopic analysis of irradiated AGR-1 coated particle fuel compacts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Scott A. Ploger; Paul A. Demkowicz; John D. Hunn

    The AGR-1 experiment involved irradiation of 72 TRISO-coated particle fuel compacts to a peak compact-average burnup of 19.5% FIMA with no in-pile failures observed out of 3 x 105 total particles. Irradiated AGR-1 fuel compacts have been cross-sectioned and analyzed with optical microscopy to characterize kernel, buffer, and coating behavior. Six compacts have been examined, spanning a range of irradiation conditions (burnup, fast fluence, and irradiation temperature) and including all four TRISO coating variations irradiated in the AGR-1 experiment. The cylindrical specimens were sectioned both transversely and longitudinally, then polished to expose from 36 to 79 individual particles near midplanemore » on each mount. The analysis focused primarily on kernel swelling and porosity, buffer densification and fracturing, buffer–IPyC debonding, and fractures in the IPyC and SiC layers. Characteristic morphologies have been identified, 981 particles have been classified, and spatial distributions of particle types have been mapped. No significant spatial patterns were discovered in these cross sections. However, some trends were found between morphological types and certain behavioral aspects. Buffer fractures were found in 23% of the particles, and these fractures often resulted in unconstrained kernel protrusion into the open cavities. Fractured buffers and buffers that stayed bonded to IPyC layers appear related to larger pore size in kernels. Buffer–IPyC interface integrity evidently factored into initiation of rare IPyC fractures. Fractures through part of the SiC layer were found in only four classified particles, all in conjunction with IPyC–SiC debonding. Compiled results suggest that the deliberate coating fabrication variations influenced the frequencies of IPyC fractures and IPyC–SiC debonds.« less

  10. An improved numerical method for the kernel density functional estimation of disperse flow

    NASA Astrophysics Data System (ADS)

    Smith, Timothy; Ranjan, Reetesh; Pantano, Carlos

    2014-11-01

    We present an improved numerical method to solve the transport equation for the one-point particle density function (pdf), which can be used to model disperse flows. The transport equation, a hyperbolic partial differential equation (PDE) with a source term, is derived from the Lagrangian equations for a dilute particle system by treating position and velocity as state-space variables. The method approximates the pdf by a discrete mixture of kernel density functions (KDFs) with space and time varying parameters and performs a global Rayleigh-Ritz like least-square minimization on the state-space of velocity. Such an approximation leads to a hyperbolic system of PDEs for the KDF parameters that cannot be written completely in conservation form. This system is solved using a numerical method that is path-consistent, according to the theory of non-conservative hyperbolic equations. The resulting formulation is a Roe-like update that utilizes the local eigensystem information of the linearized system of PDEs. We will present the formulation of the base method, its higher-order extension and further regularization to demonstrate that the method can predict statistics of disperse flows in an accurate, consistent and efficient manner. This project was funded by NSF Project NSF-DMS 1318161.

  11. Three-Dimensional Sensitivity Kernels of Z/H Amplitude Ratios of Surface and Body Waves

    NASA Astrophysics Data System (ADS)

    Bao, X.; Shen, Y.

    2017-12-01

    The ellipticity of Rayleigh wave particle motion, or Z/H amplitude ratio, has received increasing attention in inversion for shallow Earth structures. Previous studies of the Z/H ratio assumed one-dimensional (1D) velocity structures beneath the receiver, ignoring the effects of three-dimensional (3D) heterogeneities on wave amplitudes. This simplification may introduce bias in the resulting models. Here we present 3D sensitivity kernels of the Z/H ratio to Vs, Vp, and density perturbations, based on finite-difference modeling of wave propagation in 3D structures and the scattering-integral method. Our full-wave approach overcomes two main issues in previous studies of Rayleigh wave ellipticity: (1) the finite-frequency effects of wave propagation in 3D Earth structures, and (2) isolation of the fundamental mode Rayleigh waves from Rayleigh wave overtones and converted Love waves. In contrast to the 1D depth sensitivity kernels in previous studies, our 3D sensitivity kernels exhibit patterns that vary with azimuths and distances to the receiver. The laterally-summed 3D sensitivity kernels and 1D depth sensitivity kernels, based on the same homogeneous reference model, are nearly identical with small differences that are attributable to the single period of the 1D kernels and a finite period range of the 3D kernels. We further verify the 3D sensitivity kernels by comparing the predictions from the kernels with the measurements from numerical simulations of wave propagation for models with various small-scale perturbations. We also calculate and verify the amplitude kernels for P waves. This study shows that both Rayleigh and body wave Z/H ratios provide vertical and lateral constraints on the structure near the receiver. With seismic arrays, the 3D kernels afford a powerful tool to use the Z/H ratios to obtain accurate and high-resolution Earth models.

  12. Conceptual design of quadriso particles with europium burnable absorber in HTRS.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Talamo, A.; Nuclear Engineering Division

    2010-05-18

    In High Temperature Reactors, burnable absorbers are utilized to manage the excess reactivity at the early stage of the fuel cycle. In this study QUADRISO particles are proposed to manage the initial xcess reactivity of High Temperature Reactors. The QUADRISO concept synergistically couples the decrease of the burnable poison with the decrease of the fissile materials at the fuel particle level. This echanism is set up by introducing a burnable poison layer around the fuel kernel in ordinary TRISO particles or by mixing the burnable poison with any of the TRISO coated layers. At the beginning of life, the nitialmore » excess reactivity is small because some neutrons are absorbed in the burnable poison and they are prevented from entering the fuel kernel. At the end of life, when the absorber is almost depleted, ore eutrons stream into the fuel kernel of QUADRISO particles causing fission reactions. The mechanism has been applied to a prismatic High Temperature Reactor with europium or erbium burnable absorbers, showing a significant reduction in the initial excess reactivity of the core.« less

  13. A novel concept of QUADRISO particles. Part II: Utilization for excess reactivity control.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Talamo, A.

    2010-07-01

    In high temperature reactors, burnable absorbers are utilized to manage the excess reactivity at the early stage of the fuel cycle. In this paper QUADRISO particles are proposed to manage the initial excess reactivity of high temperature reactors. The QUADRISO concept synergistically couples the decrease of the burnable poison with the decrease of the fissile materials at the fuel particle level. This mechanism is set up by introducing a burnable poison layer around the fuel kernel in ordinary TRISO particles or by mixing the burnable poison with any of the TRISO coated layers. At the beginning of life, the initialmore » excess reactivity is small because some neutrons are absorbed in the burnable poison and they are prevented from entering the fuel kernel. At the end of life, when the absorber is almost depleted, more neutrons stream into the fuel kernel of QUADRISO particles causing fission reactions. The mechanism has been applied to a prismatic high temperature reactor with europium or erbium burnable absorbers, showing a significant reduction in the initial excess reactivity of the core.« less

  14. A novel concept of QUADRISO particles : Part II Utilization for excess reactivity control.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Talamo, A.

    2011-01-01

    In high temperature reactors, burnable absorbers are utilized to manage the excess reactivity at the early stage of the fuel cycle. In this paper QUADRISO particles are proposed to manage the initial excess reactivity of high temperature reactors. The QUADRISO concept synergistically couples the decrease of the burnable poison with the decrease of the fissile materials at the fuel particle level. This mechanism is set up by introducing a burnable poison layer around the fuel kernel in ordinary TRISO particles or by mixing the burnable poison with any of the TRISO coated layers. At the beginning of life, the initialmore » excess reactivity is small because some neutrons are absorbed in the burnable poison and they are prevented from entering the fuel kernel. At the end of life, when the absorber is almost depleted, more neutrons stream into the fuel kernel of QUADRISO particles causing fission reactions. The mechanism has been applied to a prismatic high temperature reactor with europium or erbium burnable absorbers, showing a significant reduction in the initial excess reactivity of the core.« less

  15. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Blaise Collin

    The Idaho National Laboraroty (INL) PARFUME (particle fuel model) code was used to assess the overall fuel performance of uranium nitride (UN) tristructural isotropic (TRISO) ceramic fuel under irradiation conditions typical of a Light Water Reactor (LWR). The dimensional changes of the fuel particle layers and kernel were calculated, including the formation of an internal gap. The survivability of the UN TRISO particle was estimated depending on the strain behavior of the constituent materials at high fast fluence and burn up. For nominal cases, internal gas pressure and representative thermal profiles across the kernel and layers were determined along withmore » stress levels in the inner and outer pyrolytic carbon (IPyC/OPyC) and silicon carbide (SiC) layers. These parameters were then used to evaluate fuel particle failure probabilities. Results of the study show that the survivability of UN TRISO fuel under LWR irradiation conditions might only be guaranteed if the kernel and PyC swelling rates are limited at high fast fluence and burn up. These material properties have large uncertainties at the irradiation levels expected to be reached by UN TRISO fuel in LWRs. Therefore, a large experimental effort would be needed to establish material properties, including kernel and PyC swelling rates, under these conditions before definitive conclusions can be drawn on the behavior of UN TRISO fuel in LWRs.« less

  16. Out-of-Sample Extensions for Non-Parametric Kernel Methods.

    PubMed

    Pan, Binbin; Chen, Wen-Sheng; Chen, Bo; Xu, Chen; Lai, Jianhuang

    2017-02-01

    Choosing suitable kernels plays an important role in the performance of kernel methods. Recently, a number of studies were devoted to developing nonparametric kernels. Without assuming any parametric form of the target kernel, nonparametric kernel learning offers a flexible scheme to utilize the information of the data, which may potentially characterize the data similarity better. The kernel methods using nonparametric kernels are referred to as nonparametric kernel methods. However, many nonparametric kernel methods are restricted to transductive learning, where the prediction function is defined only over the data points given beforehand. They have no straightforward extension for the out-of-sample data points, and thus cannot be applied to inductive learning. In this paper, we show how to make the nonparametric kernel methods applicable to inductive learning. The key problem of out-of-sample extension is how to extend the nonparametric kernel matrix to the corresponding kernel function. A regression approach in the hyper reproducing kernel Hilbert space is proposed to solve this problem. Empirical results indicate that the out-of-sample performance is comparable to the in-sample performance in most cases. Experiments on face recognition demonstrate the superiority of our nonparametric kernel method over the state-of-the-art parametric kernel methods.

  17. An arbitrary boundary with ghost particles incorporated in coupled FEM-SPH model for FSI problems

    NASA Astrophysics Data System (ADS)

    Long, Ting; Hu, Dean; Wan, Detao; Zhuang, Chen; Yang, Gang

    2017-12-01

    It is important to treat the arbitrary boundary of Fluid-Structure Interaction (FSI) problems in computational mechanics. In order to ensure complete support condition and restore the first-order consistency near the boundary of Smoothed Particle Hydrodynamics (SPH) method for coupling Finite Element Method (FEM) with SPH model, a new ghost particle method is proposed by dividing the interceptive area of kernel support domain into subareas corresponding to boundary segments of structure. The ghost particles are produced automatically for every fluid particle at each time step, and the properties of ghost particles, such as density, mass and velocity, are defined by using the subareas to satisfy the boundary condition. In the coupled FEM-SPH model, the normal and shear forces from a boundary segment of structure to a fluid particle are calculated through the corresponding ghost particles, and its opposite forces are exerted on the corresponding boundary segment, then the momentum of the present method is conservation and there is no matching requirements between the size of elements and the size of particles. The performance of the present method is discussed and validated by several FSI problems with complex geometry boundary and moving boundary.

  18. Meshfree truncated hierarchical refinement for isogeometric analysis

    NASA Astrophysics Data System (ADS)

    Atri, H. R.; Shojaee, S.

    2018-05-01

    In this paper truncated hierarchical B-spline (THB-spline) is coupled with reproducing kernel particle method (RKPM) to blend advantages of the isogeometric analysis and meshfree methods. Since under certain conditions, the isogeometric B-spline and NURBS basis functions are exactly represented by reproducing kernel meshfree shape functions, recursive process of producing isogeometric bases can be omitted. More importantly, a seamless link between meshfree methods and isogeometric analysis can be easily defined which provide an authentic meshfree approach to refine the model locally in isogeometric analysis. This procedure can be accomplished using truncated hierarchical B-splines to construct new bases and adaptively refine them. It is also shown that the THB-RKPM method can provide efficient approximation schemes for numerical simulations and represent a promising performance in adaptive refinement of partial differential equations via isogeometric analysis. The proposed approach for adaptive locally refinement is presented in detail and its effectiveness is investigated through well-known benchmark examples.

  19. Spatio-Temporal Process Simulation of Dam-Break Flood Based on SPH

    NASA Astrophysics Data System (ADS)

    Wang, H.; Ye, F.; Ouyang, S.; Li, Z.

    2018-04-01

    On the basis of introducing the SPH (Smooth Particle Hydrodynamics) simulation method, the key research problems were given solutions in this paper, which ere the spatial scale and temporal scale adapting to the GIS(Geographical Information System) application, the boundary condition equations combined with the underlying surface, and the kernel function and parameters applicable to dam-break flood simulation. In this regards, a calculation method of spatio-temporal process emulation with elaborate particles for dam-break flood was proposed. Moreover the spatio-temporal process was dynamic simulated by using GIS modelling and visualization. The results show that the method gets more information, objectiveness and real situations.

  20. 7 CFR 810.206 - Grades and grade requirements for barley.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... particles of unknown foreign substance(s) or commonly recognized harmful or toxic substance(s), 8 or more... injured-by-mold kernels are not considered damaged kernels. [61 FR 18492, Apr. 26, 1996] Special Grades...

  1. 7 CFR 810.206 - Grades and grade requirements for barley.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... particles of unknown foreign substance(s) or commonly recognized harmful or toxic substance(s), 8 or more... injured-by-mold kernels are not considered damaged kernels. [61 FR 18492, Apr. 26, 1996] Special Grades...

  2. 7 CFR 810.206 - Grades and grade requirements for barley.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... particles of unknown foreign substance(s) or commonly recognized harmful or toxic substance(s), 8 or more... injured-by-mold kernels are not considered damaged kernels. [61 FR 18492, Apr. 26, 1996] Special Grades...

  3. 7 CFR 810.206 - Grades and grade requirements for barley.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... particles of unknown foreign substance(s) or commonly recognized harmful or toxic substance(s), 8 or more... injured-by-mold kernels are not considered damaged kernels. [61 FR 18492, Apr. 26, 1996] Special Grades...

  4. Reproducing Kernel Particle Method in Plasticity of Pressure-Sensitive Material with Reference to Powder Forming Process

    NASA Astrophysics Data System (ADS)

    Khoei, A. R.; Samimi, M.; Azami, A. R.

    2007-02-01

    In this paper, an application of the reproducing kernel particle method (RKPM) is presented in plasticity behavior of pressure-sensitive material. The RKPM technique is implemented in large deformation analysis of powder compaction process. The RKPM shape function and its derivatives are constructed by imposing the consistency conditions. The essential boundary conditions are enforced by the use of the penalty approach. The support of the RKPM shape function covers the same set of particles during powder compaction, hence no instability is encountered in the large deformation computation. A double-surface plasticity model is developed in numerical simulation of pressure-sensitive material. The plasticity model includes a failure surface and an elliptical cap, which closes the open space between the failure surface and hydrostatic axis. The moving cap expands in the stress space according to a specified hardening rule. The cap model is presented within the framework of large deformation RKPM analysis in order to predict the non-uniform relative density distribution during powder die pressing. Numerical computations are performed to demonstrate the applicability of the algorithm in modeling of powder forming processes and the results are compared to those obtained from finite element simulation to demonstrate the accuracy of the proposed model.

  5. Modeling and Analysis of FCM UN TRISO Fuel Using the PARFUME Code

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Blaise Collin

    2013-09-01

    The PARFUME (PARticle Fuel ModEl) modeling code was used to assess the overall fuel performance of uranium nitride (UN) tri-structural isotropic (TRISO) ceramic fuel in the frame of the design and development of Fully Ceramic Matrix (FCM) fuel. A specific modeling of a TRISO particle with UN kernel was developed with PARFUME, and its behavior was assessed in irradiation conditions typical of a Light Water Reactor (LWR). The calculations were used to access the dimensional changes of the fuel particle layers and kernel, including the formation of an internal gap. The survivability of the UN TRISO particle was estimated dependingmore » on the strain behavior of the constituent materials at high fast fluence and burn-up. For nominal cases, internal gas pressure and representative thermal profiles across the kernel and layers were determined along with stress levels in the pyrolytic carbon (PyC) and silicon carbide (SiC) layers. These parameters were then used to evaluate fuel particle failure probabilities. Results of the study show that the survivability of UN TRISO fuel under LWR irradiation conditions might only be guaranteed if the kernel and PyC swelling rates are limited at high fast fluence and burn-up. These material properties are unknown at the irradiation levels expected to be reached by UN TRISO fuel in LWRs. Therefore, more effort is needed to determine them and positively conclude on the applicability of FCM fuel to LWRs.« less

  6. Irradiation performance of HTGR fuel rods in HFIR experiments HRB-7 and -8

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Valentine, K.H.; Homan, F.J.; Long, E.L. Jr.

    1977-05-01

    The HRB-7 and -8 experiments were designed as a comprehensive test of mixed thorium-uranium oxide fissile particles with Th:U ratios from 0 to 8 for HTGR recycle application. In addition, fissile particles derived from Weak-Acid Resin (WAR) were tested as a potential backup type of fissile particle for HTGR recycle. These experiments were conducted at two temperatures (1250 and 1500/sup 0/C) to determine the influence of operating temperature on the performance parameters studied. The minor objectives were comparison of advanced coating designs where ZrC replaced SiC in the Triso design, testing of fuel coated in laboratory-scale equipment with fuel coatedmore » in production-scale coaters, comparison of the performance of /sup 233/U-bearing particles with that of /sup 235/U-bearing particles, comparison of the performance of Biso coatings with Triso coatings for particles containing the same type of kernel, and testing of multijunction tungsten-rhenium thermocouples. All objectives were accomplished. As a result of these experiments the mixed thorium-uranium oxide fissile kernel was replaced by a WAR-derived particle in the reference recycle design. A tentative decision to make this change had been reached before the HRB-7 and -8 capsules were examined, and the results of the examination confirmed the accuracy of the previous decision. Even maximum dilution (Th/U approximately equal to 8) of the mixed thorium-uranium oxide kernel was insufficient to prevent amoeba of the kernels at rates that are unacceptable in a large HTGR. Other results showed the performance of /sup 233/U-bearing particles to be identical to that of /sup 235/U-bearing particles, the performance of fuel coated in production-scale equipment to be at least as good as that of fuel coated in laboratory-scale coaters, the performance of ZrC coatings to be very promising, and Biso coatings to be inferior to Triso coatings relative to fission product retention.« less

  7. Equalizing resolution in smoothed-particle hydrodynamics calculations using self-adaptive sinc kernels

    NASA Astrophysics Data System (ADS)

    García-Senz, Domingo; Cabezón, Rubén M.; Escartín, José A.; Ebinger, Kevin

    2014-10-01

    Context. The smoothed-particle hydrodynamics (SPH) technique is a numerical method for solving gas-dynamical problems. It has been applied to simulate the evolution of a wide variety of astrophysical systems. The method has a second-order accuracy, with a resolution that is usually much higher in the compressed regions than in the diluted zones of the fluid. Aims: We propose and check a method to balance and equalize the resolution of SPH between high- and low-density regions. This method relies on the versatility of a family of interpolators called sinc kernels, which allows increasing the interpolation quality by varying only a single parameter (the exponent of the sinc function). Methods: The proposed method was checked and validated through a number of numerical tests, from standard one-dimensional Riemann problems in shock tubes, to multidimensional simulations of explosions, hydrodynamic instabilities, and the collapse of a Sun-like polytrope. Results: The analysis of the hydrodynamical simulations suggests that the scheme devised to equalize the accuracy improves the treatment of the post-shock regions and, in general, of the rarefacted zones of fluids while causing no harm to the growth of hydrodynamic instabilities. The method is robust and easy to implement with a low computational overload. It conserves mass, energy, and momentum and reduces to the standard SPH scheme in regions of the fluid that have smooth density gradients.

  8. Heat kernel and Weyl anomaly of Schrödinger invariant theory

    NASA Astrophysics Data System (ADS)

    Pal, Sridip; Grinstein, Benjamín

    2017-12-01

    We propose a method inspired by discrete light cone quantization to determine the heat kernel for a Schrödinger field theory (Galilean boost invariant with z =2 anisotropic scaling symmetry) living in d +1 dimensions, coupled to a curved Newton-Cartan background, starting from a heat kernel of a relativistic conformal field theory (z =1 ) living in d +2 dimensions. We use this method to show that the Schrödinger field theory of a complex scalar field cannot have any Weyl anomalies. To be precise, we show that the Weyl anomaly Ad+1 G for Schrödinger theory is related to the Weyl anomaly of a free relativistic scalar CFT Ad+2 R via Ad+1 G=2 π δ (m )Ad+2 R , where m is the charge of the scalar field under particle number symmetry. We provide further evidence of the vanishing anomaly by evaluating Feynman diagrams in all orders of perturbation theory. We present an explicit calculation of the anomaly using a regulated Schrödinger operator, without using the null cone reduction technique. We generalize our method to show that a similar result holds for theories with a single time-derivative and with even z >2 .

  9. Fission Product Release and Survivability of UN-Kernel LWR TRISO Fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Besmann, Theodore M; Ferber, Mattison K; Lin, Hua-Tay

    2014-01-01

    A thermomechanical assessment of the LWR application of TRISO fuel with UN kernels was performed. Fission product release under operational and transient temperature conditions was determined by extrapolation from range calculations and limited data from irradiated UN pellets. Both fission recoil and diffusive release were considered and internal particle pressures computed for both 650 and 800 m diameter kernels as a function of buffer layer thickness. These pressures were used in conjunction with a finite element program to compute the radial and tangential stresses generated with a TRISO particle as a function of fluence. Creep and swelling of the innermore » and outer pyrolytic carbon layers were included in the analyses. A measure of reliability of the TRISO particle was obtained by measuring the probability of survival of the SiC barrier layer and the maximum tensile stress generated in the pyrolytic carbon layers as a function of fluence. These reliability estimates were obtained as functions of the kernel diameter, buffer layer thickness, and pyrolytic carbon layer thickness. The value of the probability of survival at the end of irradiation was inversely proportional to the maximum pressure.« less

  10. Fission product release and survivability of UN-kernel LWR TRISO fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    T. M. Besmann; M. K. Ferber; H.-T. Lin

    2014-05-01

    A thermomechanical assessment of the LWR application of TRISO fuel with UN kernels was performed. Fission product release under operational and transient temperature conditions was determined by extrapolation from fission product recoil calculations and limited data from irradiated UN pellets. Both fission recoil and diffusive release were considered and internal particle pressures computed for both 650 and 800 um diameter kernels as a function of buffer layer thickness. These pressures were used in conjunction with a finite element program to compute the radial and tangential stresses generated within a TRISO particle undergoing burnup. Creep and swelling of the inner andmore » outer pyrolytic carbon layers were included in the analyses. A measure of reliability of the TRISO particle was obtained by computing the probability of survival of the SiC barrier layer and the maximum tensile stress generated in the pyrolytic carbon layers from internal pressure and thermomechanics of the layers. These reliability estimates were obtained as functions of the kernel diameter, buffer layer thickness, and pyrolytic carbon layer thickness. The value of the probability of survival at the end of irradiation was inversely proportional to the maximum pressure.« less

  11. Diffuse correlation tomography in the transport regime: A theoretical study of the sensitivity to Brownian motion.

    PubMed

    Tricoli, Ugo; Macdonald, Callum M; Durduran, Turgut; Da Silva, Anabela; Markel, Vadim A

    2018-02-01

    Diffuse correlation tomography (DCT) uses the electric-field temporal autocorrelation function to measure the mean-square displacement of light-scattering particles in a turbid medium over a given exposure time. The movement of blood particles is here estimated through a Brownian-motion-like model in contrast to ordered motion as in blood flow. The sensitivity kernel relating the measurable field correlation function to the mean-square displacement of the particles can be derived by applying a perturbative analysis to the correlation transport equation (CTE). We derive an analytical expression for the CTE sensitivity kernel in terms of the Green's function of the radiative transport equation, which describes the propagation of the intensity. We then evaluate the kernel numerically. The simulations demonstrate that, in the transport regime, the sensitivity kernel provides sharper spatial information about the medium as compared with the correlation diffusion approximation. Also, the use of the CTE allows one to explore some additional degrees of freedom in the data such as the collimation direction of sources and detectors. Our results can be used to improve the spatial resolution of DCT, in particular, with applications to blood flow imaging in regions where the Brownian motion is dominant.

  12. Diffuse correlation tomography in the transport regime: A theoretical study of the sensitivity to Brownian motion

    NASA Astrophysics Data System (ADS)

    Tricoli, Ugo; Macdonald, Callum M.; Durduran, Turgut; Da Silva, Anabela; Markel, Vadim A.

    2018-02-01

    Diffuse correlation tomography (DCT) uses the electric-field temporal autocorrelation function to measure the mean-square displacement of light-scattering particles in a turbid medium over a given exposure time. The movement of blood particles is here estimated through a Brownian-motion-like model in contrast to ordered motion as in blood flow. The sensitivity kernel relating the measurable field correlation function to the mean-square displacement of the particles can be derived by applying a perturbative analysis to the correlation transport equation (CTE). We derive an analytical expression for the CTE sensitivity kernel in terms of the Green's function of the radiative transport equation, which describes the propagation of the intensity. We then evaluate the kernel numerically. The simulations demonstrate that, in the transport regime, the sensitivity kernel provides sharper spatial information about the medium as compared with the correlation diffusion approximation. Also, the use of the CTE allows one to explore some additional degrees of freedom in the data such as the collimation direction of sources and detectors. Our results can be used to improve the spatial resolution of DCT, in particular, with applications to blood flow imaging in regions where the Brownian motion is dominant.

  13. Gabor-based kernel PCA with fractional power polynomial models for face recognition.

    PubMed

    Liu, Chengjun

    2004-05-01

    This paper presents a novel Gabor-based kernel Principal Component Analysis (PCA) method by integrating the Gabor wavelet representation of face images and the kernel PCA method for face recognition. Gabor wavelets first derive desirable facial features characterized by spatial frequency, spatial locality, and orientation selectivity to cope with the variations due to illumination and facial expression changes. The kernel PCA method is then extended to include fractional power polynomial models for enhanced face recognition performance. A fractional power polynomial, however, does not necessarily define a kernel function, as it might not define a positive semidefinite Gram matrix. Note that the sigmoid kernels, one of the three classes of widely used kernel functions (polynomial kernels, Gaussian kernels, and sigmoid kernels), do not actually define a positive semidefinite Gram matrix either. Nevertheless, the sigmoid kernels have been successfully used in practice, such as in building support vector machines. In order to derive real kernel PCA features, we apply only those kernel PCA eigenvectors that are associated with positive eigenvalues. The feasibility of the Gabor-based kernel PCA method with fractional power polynomial models has been successfully tested on both frontal and pose-angled face recognition, using two data sets from the FERET database and the CMU PIE database, respectively. The FERET data set contains 600 frontal face images of 200 subjects, while the PIE data set consists of 680 images across five poses (left and right profiles, left and right half profiles, and frontal view) with two different facial expressions (neutral and smiling) of 68 subjects. The effectiveness of the Gabor-based kernel PCA method with fractional power polynomial models is shown in terms of both absolute performance indices and comparative performance against the PCA method, the kernel PCA method with polynomial kernels, the kernel PCA method with fractional power polynomial models, the Gabor wavelet-based PCA method, and the Gabor wavelet-based kernel PCA method with polynomial kernels.

  14. Modeling and analysis of UN TRISO fuel for LWR application using the PARFUME code

    NASA Astrophysics Data System (ADS)

    Collin, Blaise P.

    2014-08-01

    The Idaho National Laboratory (INL) PARFUME (PARticle FUel ModEl) code was used to assess the overall fuel performance of uranium nitride (UN) tristructural isotropic (TRISO) ceramic fuel under irradiation conditions typical of a Light Water Reactor (LWR). The dimensional changes of the fuel particle layers and kernel were calculated, including the formation of an internal gap. The survivability of the UN TRISO particle was estimated depending on the strain behavior of the constituent materials at high fast fluence and burn-up. For nominal cases, internal gas pressure and representative thermal profiles across the kernel and layers were determined along with stress levels in the inner and outer pyrolytic carbon (IPyC/OPyC) and silicon carbide (SiC) layers. These parameters were then used to evaluate fuel particle failure probabilities. Results of the study show that the survivability of UN TRISO fuel under LWR irradiation conditions might only be guaranteed if the kernel and PyC swelling rates are limited at high fast fluence and burn-up. These material properties have large uncertainties at the irradiation levels expected to be reached by UN TRISO fuel in LWRs. Therefore, a large experimental effort would be needed to establish material properties, including kernel and PyC swelling rates, under these conditions before definitive conclusions can be drawn on the behavior of UN TRISO fuel in LWRs.

  15. Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations.

    PubMed

    Hardy, David J; Wolff, Matthew A; Xia, Jianlin; Schulten, Klaus; Skeel, Robert D

    2016-03-21

    The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle-mesh Ewald method falls short.

  16. Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Hardy, David J.; Wolff, Matthew A.; Xia, Jianlin; Schulten, Klaus; Skeel, Robert D.

    2016-03-01

    The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle-mesh Ewald method falls short.

  17. Triso coating development progress for uranium nitride kernels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jolly, Brian C.; Lindemer, Terrence; Terrani, Kurt A.

    2015-08-01

    In support of fully ceramic matrix (FCM) fuel development [1-2], coating development work is ongoing at the Oak Ridge National Laboratory (ORNL) to produce tri-structural isotropic (TRISO) coated fuel particles with UN kernels [3]. The nitride kernels are used to increase fissile density in these SiC-matrix fuel pellets with details described elsewhere [4]. The advanced gas reactor (AGR) program at ORNL used fluidized bed chemical vapor deposition (FBCVD) techniques for TRISO coating of UCO (two phase mixture of UO2 and UCx) kernels [5]. Similar techniques were employed for coating of the UN kernels, however significant changes in processing conditions weremore » required to maintain acceptable coating properties due to physical property and dimensional differences between the UCO and UN kernels (Table 1).« less

  18. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jolly, Brian C.; Lindemer, Terrence; Terrani, Kurt A.

    In support of fully ceramic matrix (FCM) fuel development, coating development work has begun at the Oak Ridge National Laboratory (ORNL) to produce tri-isotropic (TRISO) coated fuel particles with UN kernels. The nitride kernels are used to increase heavy metal density in these SiC-matrix fuel pellets with details described elsewhere. The advanced gas reactor (AGR) program at ORNL used fluidized bed chemical vapor deposition (FBCVD) techniques for TRISO coating of UCO (two phase mixture of UO 2 and UC x) kernels. Similar techniques were employed for coating of the UN kernels, however significant changes in processing conditions were required tomore » maintain acceptable coating properties due to physical property and dimensional differences between the UCO and UN kernels.« less

  19. Multiple kernels learning-based biological entity relationship extraction method.

    PubMed

    Dongliang, Xu; Jingchang, Pan; Bailing, Wang

    2017-09-20

    Automatic extracting protein entity interaction information from biomedical literature can help to build protein relation network and design new drugs. There are more than 20 million literature abstracts included in MEDLINE, which is the most authoritative textual database in the field of biomedicine, and follow an exponential growth over time. This frantic expansion of the biomedical literature can often be difficult to absorb or manually analyze. Thus efficient and automated search engines are necessary to efficiently explore the biomedical literature using text mining techniques. The P, R, and F value of tag graph method in Aimed corpus are 50.82, 69.76, and 58.61%, respectively. The P, R, and F value of tag graph kernel method in other four evaluation corpuses are 2-5% higher than that of all-paths graph kernel. And The P, R and F value of feature kernel and tag graph kernel fuse methods is 53.43, 71.62 and 61.30%, respectively. The P, R and F value of feature kernel and tag graph kernel fuse methods is 55.47, 70.29 and 60.37%, respectively. It indicated that the performance of the two kinds of kernel fusion methods is better than that of simple kernel. In comparison with the all-paths graph kernel method, the tag graph kernel method is superior in terms of overall performance. Experiments show that the performance of the multi-kernels method is better than that of the three separate single-kernel method and the dual-mutually fused kernel method used hereof in five corpus sets.

  20. A multi-label learning based kernel automatic recommendation method for support vector machine.

    PubMed

    Zhang, Xueying; Song, Qinbao

    2015-01-01

    Choosing an appropriate kernel is very important and critical when classifying a new problem with Support Vector Machine. So far, more attention has been paid on constructing new kernels and choosing suitable parameter values for a specific kernel function, but less on kernel selection. Furthermore, most of current kernel selection methods focus on seeking a best kernel with the highest classification accuracy via cross-validation, they are time consuming and ignore the differences among the number of support vectors and the CPU time of SVM with different kernels. Considering the tradeoff between classification success ratio and CPU time, there may be multiple kernel functions performing equally well on the same classification problem. Aiming to automatically select those appropriate kernel functions for a given data set, we propose a multi-label learning based kernel recommendation method built on the data characteristics. For each data set, the meta-knowledge data base is first created by extracting the feature vector of data characteristics and identifying the corresponding applicable kernel set. Then the kernel recommendation model is constructed on the generated meta-knowledge data base with the multi-label classification method. Finally, the appropriate kernel functions are recommended to a new data set by the recommendation model according to the characteristics of the new data set. Extensive experiments over 132 UCI benchmark data sets, with five different types of data set characteristics, eleven typical kernels (Linear, Polynomial, Radial Basis Function, Sigmoidal function, Laplace, Multiquadric, Rational Quadratic, Spherical, Spline, Wave and Circular), and five multi-label classification methods demonstrate that, compared with the existing kernel selection methods and the most widely used RBF kernel function, SVM with the kernel function recommended by our proposed method achieved the highest classification performance.

  1. A Multi-Label Learning Based Kernel Automatic Recommendation Method for Support Vector Machine

    PubMed Central

    Zhang, Xueying; Song, Qinbao

    2015-01-01

    Choosing an appropriate kernel is very important and critical when classifying a new problem with Support Vector Machine. So far, more attention has been paid on constructing new kernels and choosing suitable parameter values for a specific kernel function, but less on kernel selection. Furthermore, most of current kernel selection methods focus on seeking a best kernel with the highest classification accuracy via cross-validation, they are time consuming and ignore the differences among the number of support vectors and the CPU time of SVM with different kernels. Considering the tradeoff between classification success ratio and CPU time, there may be multiple kernel functions performing equally well on the same classification problem. Aiming to automatically select those appropriate kernel functions for a given data set, we propose a multi-label learning based kernel recommendation method built on the data characteristics. For each data set, the meta-knowledge data base is first created by extracting the feature vector of data characteristics and identifying the corresponding applicable kernel set. Then the kernel recommendation model is constructed on the generated meta-knowledge data base with the multi-label classification method. Finally, the appropriate kernel functions are recommended to a new data set by the recommendation model according to the characteristics of the new data set. Extensive experiments over 132 UCI benchmark data sets, with five different types of data set characteristics, eleven typical kernels (Linear, Polynomial, Radial Basis Function, Sigmoidal function, Laplace, Multiquadric, Rational Quadratic, Spherical, Spline, Wave and Circular), and five multi-label classification methods demonstrate that, compared with the existing kernel selection methods and the most widely used RBF kernel function, SVM with the kernel function recommended by our proposed method achieved the highest classification performance. PMID:25893896

  2. Analysis and Development of A Robust Fuel for Gas-Cooled Fast Reactors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Knight, Travis W.

    2010-01-31

    The focus of this effort was on the development of an advanced fuel for gas-cooled fast reactor (GFR) applications. This composite design is based on carbide fuel kernels dispersed in a ZrC matrix. The choice of ZrC is based on its high temperature properties and good thermal conductivity and improved retention of fission products to temperatures beyond that of traditional SiC based coated particle fuels. A key component of this study was the development and understanding of advanced fabrication techniques for GFR fuels that have potential to reduce minor actinide (MA) losses during fabrication owing to their higher vapor pressuresmore » and greater volatility. The major accomplishments of this work were the study of combustion synthesis methods for fabrication of the ZrC matrix, fabrication of high density UC electrodes for use in the rotating electrode process, production of UC particles by rotating electrode method, integration of UC kernels in the ZrC matrix, and the full characterization of each component. Major accomplishments in the near-term have been the greater characterization of the UC kernels produced by the rotating electrode method and their condition following the integration in the composite (ZrC matrix) following the short time but high temperature combustion synthesis process. This work has generated four journal publications, one conference proceeding paper, and one additional journal paper submitted for publication (under review). The greater significance of the work can be understood in that it achieved an objective of the DOE Generation IV (GenIV) roadmap for GFR Fuel—namely the demonstration of a composite carbide fuel with 30% volume fuel. This near-term accomplishment is even more significant given the expected or possible time frame for implementation of the GFR in the years 2030 -2050 or beyond.« less

  3. Balancing Particle and Mesh Computation in a Particle-In-Cell Code

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Worley, Patrick H; D'Azevedo, Eduardo; Hager, Robert

    2016-01-01

    The XGC1 plasma microturbulence particle-in-cell simulation code has both particle-based and mesh-based computational kernels that dominate performance. Both of these are subject to load imbalances that can degrade performance and that evolve during a simulation. Each separately can be addressed adequately, but optimizing just for one can introduce significant load imbalances in the other, degrading overall performance. A technique has been developed based on Golden Section Search that minimizes wallclock time given prior information on wallclock time, and on current particle distribution and mesh cost per cell, and also adapts to evolution in load imbalance in both particle and meshmore » work. In problems of interest this doubled the performance on full system runs on the XK7 at the Oak Ridge Leadership Computing Facility compared to load balancing only one of the kernels.« less

  4. Nonrelativistic trace and diffeomorphism anomalies in particle number background

    NASA Astrophysics Data System (ADS)

    Auzzi, Roberto; Baiguera, Stefano; Nardelli, Giuseppe

    2018-04-01

    Using the heat kernel method, we compute nonrelativistic trace anomalies for Schrödinger theories in flat spacetime, with a generic background gauge field for the particle number symmetry, both for a free scalar and a free fermion. The result is genuinely nonrelativistic, and it has no counterpart in the relativistic case. Contrary to naive expectations, the anomaly is not gauge invariant; this is similar to the nongauge covariance of the non-Abelian relativistic anomaly. We also show that, in the same background, the gravitational anomaly for a nonrelativistic scalar vanishes.

  5. 7 CFR 51.2126 - Particles and dust.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 2 2013-01-01 2013-01-01 false Particles and dust. 51.2126 Section 51.2126 Agriculture Regulations of the Department of Agriculture AGRICULTURAL MARKETING SERVICE (Standards... § 51.2126 Particles and dust. Particles and dust means fragments of almond kernels or other material...

  6. 7 CFR 51.2126 - Particles and dust.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 2 2014-01-01 2014-01-01 false Particles and dust. 51.2126 Section 51.2126 Agriculture Regulations of the Department of Agriculture AGRICULTURAL MARKETING SERVICE (Standards... § 51.2126 Particles and dust. Particles and dust means fragments of almond kernels or other material...

  7. Detection of subjects and brain regions related to Alzheimer's disease using 3D MRI scans based on eigenbrain and machine learning

    PubMed Central

    Zhang, Yudong; Dong, Zhengchao; Phillips, Preetha; Wang, Shuihua; Ji, Genlin; Yang, Jiquan; Yuan, Ti-Fei

    2015-01-01

    Purpose: Early diagnosis or detection of Alzheimer's disease (AD) from the normal elder control (NC) is very important. However, the computer-aided diagnosis (CAD) was not widely used, and the classification performance did not reach the standard of practical use. We proposed a novel CAD system for MR brain images based on eigenbrains and machine learning with two goals: accurate detection of both AD subjects and AD-related brain regions. Method: First, we used maximum inter-class variance (ICV) to select key slices from 3D volumetric data. Second, we generated an eigenbrain set for each subject. Third, the most important eigenbrain (MIE) was obtained by Welch's t-test (WTT). Finally, kernel support-vector-machines with different kernels that were trained by particle swarm optimization, were used to make an accurate prediction of AD subjects. Coefficients of MIE with values higher than 0.98 quantile were highlighted to obtain the discriminant regions that distinguish AD from NC. Results: The experiments showed that the proposed method can predict AD subjects with a competitive performance with existing methods, especially the accuracy of the polynomial kernel (92.36 ± 0.94) was better than the linear kernel of 91.47 ± 1.02 and the radial basis function (RBF) kernel of 86.71 ± 1.93. The proposed eigenbrain-based CAD system detected 30 AD-related brain regions (Anterior Cingulate, Caudate Nucleus, Cerebellum, Cingulate Gyrus, Claustrum, Inferior Frontal Gyrus, Inferior Parietal Lobule, Insula, Lateral Ventricle, Lentiform Nucleus, Lingual Gyrus, Medial Frontal Gyrus, Middle Frontal Gyrus, Middle Occipital Gyrus, Middle Temporal Gyrus, Paracentral Lobule, Parahippocampal Gyrus, Postcentral Gyrus, Posterial Cingulate, Precentral Gyrus, Precuneus, Subcallosal Gyrus, Sub-Gyral, Superior Frontal Gyrus, Superior Parietal Lobule, Superior Temporal Gyrus, Supramarginal Gyrus, Thalamus, Transverse Temporal Gyrus, and Uncus). The results were coherent with existing literatures. Conclusion: The eigenbrain method was effective in AD subject prediction and discriminant brain-region detection in MRI scanning. PMID:26082713

  8. [Spectral scatter correction of coal samples based on quasi-linear local weighted method].

    PubMed

    Lei, Meng; Li, Ming; Ma, Xiao-Ping; Miao, Yan-Zi; Wang, Jian-Sheng

    2014-07-01

    The present paper puts forth a new spectral correction method based on quasi-linear expression and local weighted function. The first stage of the method is to search 3 quasi-linear expressions to replace the original linear expression in MSC method, such as quadratic, cubic and growth curve expression. Then the local weighted function is constructed by introducing 4 kernel functions, such as Gaussian, Epanechnikov, Biweight and Triweight kernel function. After adding the function in the basic estimation equation, the dependency between the original and ideal spectra is described more accurately and meticulously at each wavelength point. Furthermore, two analytical models were established respectively based on PLS and PCA-BP neural network method, which can be used for estimating the accuracy of corrected spectra. At last, the optimal correction mode was determined by the analytical results with different combination of quasi-linear expression and local weighted function. The spectra of the same coal sample have different noise ratios while the coal sample was prepared under different particle sizes. To validate the effectiveness of this method, the experiment analyzed the correction results of 3 spectral data sets with the particle sizes of 0.2, 1 and 3 mm. The results show that the proposed method can eliminate the scattering influence, and also can enhance the information of spectral peaks. This paper proves a more efficient way to enhance the correlation between corrected spectra and coal qualities significantly, and improve the accuracy and stability of the analytical model substantially.

  9. Dynamic least-squares kernel density modeling of Fokker-Planck equations with application to neural population.

    PubMed

    Shotorban, Babak

    2010-04-01

    The dynamic least-squares kernel density (LSQKD) model [C. Pantano and B. Shotorban, Phys. Rev. E 76, 066705 (2007)] is used to solve the Fokker-Planck equations. In this model the probability density function (PDF) is approximated by a linear combination of basis functions with unknown parameters whose governing equations are determined by a global least-squares approximation of the PDF in the phase space. In this work basis functions are set to be Gaussian for which the mean, variance, and covariances are governed by a set of partial differential equations (PDEs) or ordinary differential equations (ODEs) depending on what phase-space variables are approximated by Gaussian functions. Three sample problems of univariate double-well potential, bivariate bistable neurodynamical system [G. Deco and D. Martí, Phys. Rev. E 75, 031913 (2007)], and bivariate Brownian particles in a nonuniform gas are studied. The LSQKD is verified for these problems as its results are compared against the results of the method of characteristics in nondiffusive cases and the stochastic particle method in diffusive cases. For the double-well potential problem it is observed that for low to moderate diffusivity the dynamic LSQKD well predicts the stationary PDF for which there is an exact solution. A similar observation is made for the bistable neurodynamical system. In both these problems least-squares approximation is made on all phase-space variables resulting in a set of ODEs with time as the independent variable for the Gaussian function parameters. In the problem of Brownian particles in a nonuniform gas, this approximation is made only for the particle velocity variable leading to a set of PDEs with time and particle position as independent variables. Solving these PDEs, a very good performance by LSQKD is observed for a wide range of diffusivities.

  10. Symmetry preserving truncations of the gap and Bethe-Salpeter equations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Binosi, Daniele; Chang, Lei; Papavassiliou, Joannis

    2016-05-01

    Ward-Green-Takahashi (WGT) identities play a crucial role in hadron physics, e.g. imposing stringent relationships between the kernels of the one-and two-body problems, which must be preserved in any veracious treatment of mesons as bound states. In this connection, one may view the dressed gluon-quark vertex, Gamma(alpha)(mu), as fundamental. We use a novel representation of Gamma(alpha)(mu), in terms of the gluon-quark scattering matrix, to develop a method capable of elucidating the unique quark-antiquark Bethe-Salpeter kernel, K, that is symmetry consistent with a given quark gap equation. A strength of the scheme is its ability to expose and capitalize on graphic symmetriesmore » within the kernels. This is displayed in an analysis that reveals the origin of H-diagrams in K, which are two-particle-irreducible contributions, generated as two-loop diagrams involving the three-gluon vertex, that cannot be absorbed as a dressing of Gamma(alpha)(mu) in a Bethe-Salpeter kernel nor expressed as a member of the class of crossed-box diagrams. Thus, there are no general circumstances under which the WGT identities essential for a valid description of mesons can be preserved by a Bethe-Salpeter kernel obtained simply by dressing both gluon-quark vertices in a ladderlike truncation; and, moreover, adding any number of similarly dressed crossed-box diagrams cannot improve the situation.« less

  11. SPHYNX: an accurate density-based SPH method for astrophysical applications

    NASA Astrophysics Data System (ADS)

    Cabezón, R. M.; García-Senz, D.; Figueira, J.

    2017-10-01

    Aims: Hydrodynamical instabilities and shocks are ubiquitous in astrophysical scenarios. Therefore, an accurate numerical simulation of these phenomena is mandatory to correctly model and understand many astrophysical events, such as supernovas, stellar collisions, or planetary formation. In this work, we attempt to address many of the problems that a commonly used technique, smoothed particle hydrodynamics (SPH), has when dealing with subsonic hydrodynamical instabilities or shocks. To that aim we built a new SPH code named SPHYNX, that includes many of the recent advances in the SPH technique and some other new ones, which we present here. Methods: SPHYNX is of Newtonian type and grounded in the Euler-Lagrange formulation of the smoothed-particle hydrodynamics technique. Its distinctive features are: the use of an integral approach to estimating the gradients; the use of a flexible family of interpolators called sinc kernels, which suppress pairing instability; and the incorporation of a new type of volume element which provides a better partition of the unity. Unlike other modern formulations, which consider volume elements linked to pressure, our volume element choice relies on density. SPHYNX is, therefore, a density-based SPH code. Results: A novel computational hydrodynamic code oriented to Astrophysical applications is described, discussed, and validated in the following pages. The ensuing code conserves mass, linear and angular momentum, energy, entropy, and preserves kernel normalization even in strong shocks. In our proposal, the estimation of gradients is enhanced using an integral approach. Additionally, we introduce a new family of volume elements which reduce the so-called tensile instability. Both features help to suppress the damp which often prevents the growth of hydrodynamic instabilities in regular SPH codes. Conclusions: On the whole, SPHYNX has passed the verification tests described below. For identical particle setting and initial conditions the results were similar (or better in some particular cases) than those obtained with other SPH schemes such as GADGET-2, PSPH or with the recent density-independent formulation (DISPH) and conservative reproducing kernel (CRKSPH) techniques.

  12. Dynamic particle refinement in SPH: application to free surface flow and non-cohesive soil simulations

    NASA Astrophysics Data System (ADS)

    Reyes López, Yaidel; Roose, Dirk; Recarey Morfa, Carlos

    2013-05-01

    In this paper, we present a dynamic refinement algorithm for the smoothed particle Hydrodynamics (SPH) method. An SPH particle is refined by replacing it with smaller daughter particles, which positions are calculated by using a square pattern centered at the position of the refined particle. We determine both the optimal separation and the smoothing distance of the new particles such that the error produced by the refinement in the gradient of the kernel is small and possible numerical instabilities are reduced. We implemented the dynamic refinement procedure into two different models: one for free surface flows, and one for post-failure flow of non-cohesive soil. The results obtained for the test problems indicate that using the dynamic refinement procedure provides a good trade-off between the accuracy and the cost of the simulations.

  13. Study on Temperature and Synthetic Compensation of Piezo-Resistive Differential Pressure Sensors by Coupled Simulated Annealing and Simplex Optimized Kernel Extreme Learning Machine

    PubMed Central

    Li, Ji; Hu, Guoqing; Zhou, Yonghong; Zou, Chong; Peng, Wei; Alam SM, Jahangir

    2017-01-01

    As a high performance-cost ratio solution for differential pressure measurement, piezo-resistive differential pressure sensors are widely used in engineering processes. However, their performance is severely affected by the environmental temperature and the static pressure applied to them. In order to modify the non-linear measuring characteristics of the piezo-resistive differential pressure sensor, compensation actions should synthetically consider these two aspects. Advantages such as nonlinear approximation capability, highly desirable generalization ability and computational efficiency make the kernel extreme learning machine (KELM) a practical approach for this critical task. Since the KELM model is intrinsically sensitive to the regularization parameter and the kernel parameter, a searching scheme combining the coupled simulated annealing (CSA) algorithm and the Nelder-Mead simplex algorithm is adopted to find an optimal KLEM parameter set. A calibration experiment at different working pressure levels was conducted within the temperature range to assess the proposed method. In comparison with other compensation models such as the back-propagation neural network (BP), radius basis neural network (RBF), particle swarm optimization optimized support vector machine (PSO-SVM), particle swarm optimization optimized least squares support vector machine (PSO-LSSVM) and extreme learning machine (ELM), the compensation results show that the presented compensation algorithm exhibits a more satisfactory performance with respect to temperature compensation and synthetic compensation problems. PMID:28422080

  14. Study on Temperature and Synthetic Compensation of Piezo-Resistive Differential Pressure Sensors by Coupled Simulated Annealing and Simplex Optimized Kernel Extreme Learning Machine.

    PubMed

    Li, Ji; Hu, Guoqing; Zhou, Yonghong; Zou, Chong; Peng, Wei; Alam Sm, Jahangir

    2017-04-19

    As a high performance-cost ratio solution for differential pressure measurement, piezo-resistive differential pressure sensors are widely used in engineering processes. However, their performance is severely affected by the environmental temperature and the static pressure applied to them. In order to modify the non-linear measuring characteristics of the piezo-resistive differential pressure sensor, compensation actions should synthetically consider these two aspects. Advantages such as nonlinear approximation capability, highly desirable generalization ability and computational efficiency make the kernel extreme learning machine (KELM) a practical approach for this critical task. Since the KELM model is intrinsically sensitive to the regularization parameter and the kernel parameter, a searching scheme combining the coupled simulated annealing (CSA) algorithm and the Nelder-Mead simplex algorithm is adopted to find an optimal KLEM parameter set. A calibration experiment at different working pressure levels was conducted within the temperature range to assess the proposed method. In comparison with other compensation models such as the back-propagation neural network (BP), radius basis neural network (RBF), particle swarm optimization optimized support vector machine (PSO-SVM), particle swarm optimization optimized least squares support vector machine (PSO-LSSVM) and extreme learning machine (ELM), the compensation results show that the presented compensation algorithm exhibits a more satisfactory performance with respect to temperature compensation and synthetic compensation problems.

  15. 7 CFR 51.2126 - Particles and dust.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 2 2010-01-01 2010-01-01 false Particles and dust. 51.2126 Section 51.2126... STANDARDS) United States Standards for Grades of Shelled Almonds Definitions § 51.2126 Particles and dust. Particles and dust means fragments of almond kernels or other material which will pass through a round...

  16. 7 CFR 51.2126 - Particles and dust.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 2 2011-01-01 2011-01-01 false Particles and dust. 51.2126 Section 51.2126... STANDARDS) United States Standards for Grades of Shelled Almonds Definitions § 51.2126 Particles and dust. Particles and dust means fragments of almond kernels or other material which will pass through a round...

  17. 7 CFR 51.2126 - Particles and dust.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 2 2012-01-01 2012-01-01 false Particles and dust. 51.2126 Section 51.2126... STANDARDS) United States Standards for Grades of Shelled Almonds Definitions § 51.2126 Particles and dust. Particles and dust means fragments of almond kernels or other material which will pass through a round...

  18. Implementing Kernel Methods Incrementally by Incremental Nonlinear Projection Trick.

    PubMed

    Kwak, Nojun

    2016-05-20

    Recently, the nonlinear projection trick (NPT) was introduced enabling direct computation of coordinates of samples in a reproducing kernel Hilbert space. With NPT, any machine learning algorithm can be extended to a kernel version without relying on the so called kernel trick. However, NPT is inherently difficult to be implemented incrementally because an ever increasing kernel matrix should be treated as additional training samples are introduced. In this paper, an incremental version of the NPT (INPT) is proposed based on the observation that the centerization step in NPT is unnecessary. Because the proposed INPT does not change the coordinates of the old data, the coordinates obtained by INPT can directly be used in any incremental methods to implement a kernel version of the incremental methods. The effectiveness of the INPT is shown by applying it to implement incremental versions of kernel methods such as, kernel singular value decomposition, kernel principal component analysis, and kernel discriminant analysis which are utilized for problems of kernel matrix reconstruction, letter classification, and face image retrieval, respectively.

  19. Numerical and experimental validation of a particle Galerkin method for metal grinding simulation

    NASA Astrophysics Data System (ADS)

    Wu, C. T.; Bui, Tinh Quoc; Wu, Youcai; Luo, Tzui-Liang; Wang, Morris; Liao, Chien-Chih; Chen, Pei-Yin; Lai, Yu-Sheng

    2018-03-01

    In this paper, a numerical approach with an experimental validation is introduced for modelling high-speed metal grinding processes in 6061-T6 aluminum alloys. The derivation of the present numerical method starts with an establishment of a stabilized particle Galerkin approximation. A non-residual penalty term from strain smoothing is introduced as a means of stabilizing the particle Galerkin method. Additionally, second-order strain gradients are introduced to the penalized functional for the regularization of damage-induced strain localization problem. To handle the severe deformation in metal grinding simulation, an adaptive anisotropic Lagrangian kernel is employed. Finally, the formulation incorporates a bond-based failure criterion to bypass the prospective spurious damage growth issues in material failure and cutting debris simulation. A three-dimensional metal grinding problem is analyzed and compared with the experimental results to demonstrate the effectiveness and accuracy of the proposed numerical approach.

  20. Modeling reactive transport with particle tracking and kernel estimators

    NASA Astrophysics Data System (ADS)

    Rahbaralam, Maryam; Fernandez-Garcia, Daniel; Sanchez-Vila, Xavier

    2015-04-01

    Groundwater reactive transport models are useful to assess and quantify the fate and transport of contaminants in subsurface media and are an essential tool for the analysis of coupled physical, chemical, and biological processes in Earth Systems. Particle Tracking Method (PTM) provides a computationally efficient and adaptable approach to solve the solute transport partial differential equation. On a molecular level, chemical reactions are the result of collisions, combinations, and/or decay of different species. For a well-mixed system, the chem- ical reactions are controlled by the classical thermodynamic rate coefficient. Each of these actions occurs with some probability that is a function of solute concentrations. PTM is based on considering that each particle actually represents a group of molecules. To properly simulate this system, an infinite number of particles is required, which is computationally unfeasible. On the other hand, a finite number of particles lead to a poor-mixed system which is limited by diffusion. Recent works have used this effect to actually model incomplete mix- ing in naturally occurring porous media. In this work, we demonstrate that this effect in most cases should be attributed to a defficient estimation of the concentrations and not to the occurrence of true incomplete mixing processes in porous media. To illustrate this, we show that a Kernel Density Estimation (KDE) of the concentrations can approach the well-mixed solution with a limited number of particles. KDEs provide weighting functions of each particle mass that expands its region of influence, hence providing a wider region for chemical reactions with time. Simulation results show that KDEs are powerful tools to improve state-of-the-art simulations of chemical reactions and indicates that incomplete mixing in diluted systems should be modeled based on alternative conceptual models and not on a limited number of particles.

  1. An O(N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles

    NASA Astrophysics Data System (ADS)

    Jiang, Xikai; Li, Jiyuan; Zhao, Xujun; Qin, Jian; Karpeev, Dmitry; Hernandez-Ortiz, Juan; de Pablo, Juan J.; Heinonen, Olle

    2016-08-01

    Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct computational evaluation requires O(N2) operations, where N is the number of unknowns. Such a scaling, which arises from the many-body nature of the relevant Green's function, has precluded wide-spread adoption of integral methods for solution of large-scale scientific and engineering problems. In this work, a parallel computational approach is presented that relies on using scalable open source libraries and utilizes a kernel-independent Fast Multipole Method (FMM) to evaluate the integrals in O(N) operations, with O(N) memory cost, thereby substantially improving the scalability and efficiency of computational integral methods. We demonstrate the accuracy, efficiency, and scalability of our approach in the context of two examples. In the first, we solve a boundary value problem for a ferroelectric/ferromagnetic volume in free space. In the second, we solve an electrostatic problem involving polarizable dielectric bodies in an unbounded dielectric medium. The results from these test cases show that our proposed parallel approach, which is built on a kernel-independent FMM, can enable highly efficient and accurate simulations and allow for considerable flexibility in a broad range of applications.

  2. Comparing Alternative Kernels for the Kernel Method of Test Equating: Gaussian, Logistic, and Uniform Kernels. Research Report. ETS RR-08-12

    ERIC Educational Resources Information Center

    Lee, Yi-Hsuan; von Davier, Alina A.

    2008-01-01

    The kernel equating method (von Davier, Holland, & Thayer, 2004) is based on a flexible family of equipercentile-like equating functions that use a Gaussian kernel to continuize the discrete score distributions. While the classical equipercentile, or percentile-rank, equating method carries out the continuization step by linear interpolation,…

  3. Kernel K-Means Sampling for Nyström Approximation.

    PubMed

    He, Li; Zhang, Hong

    2018-05-01

    A fundamental problem in Nyström-based kernel matrix approximation is the sampling method by which training set is built. In this paper, we suggest to use kernel -means sampling, which is shown in our works to minimize the upper bound of a matrix approximation error. We first propose a unified kernel matrix approximation framework, which is able to describe most existing Nyström approximations under many popular kernels, including Gaussian kernel and polynomial kernel. We then show that, the matrix approximation error upper bound, in terms of the Frobenius norm, is equal to the -means error of data points in kernel space plus a constant. Thus, the -means centers of data in kernel space, or the kernel -means centers, are the optimal representative points with respect to the Frobenius norm error upper bound. Experimental results, with both Gaussian kernel and polynomial kernel, on real-world data sets and image segmentation tasks show the superiority of the proposed method over the state-of-the-art methods.

  4. 7 CFR 51.2105 - U.S. Fancy.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... decay, rancidity, insect injury, foreign material, doubles, split or broken kernels, particles and dust... percentage shall be allowed for glass and metal; (e) For particles and dust. One-tenth of 1 percent (0.10...

  5. Kernel Partial Least Squares for Nonlinear Regression and Discrimination

    NASA Technical Reports Server (NTRS)

    Rosipal, Roman; Clancy, Daniel (Technical Monitor)

    2002-01-01

    This paper summarizes recent results on applying the method of partial least squares (PLS) in a reproducing kernel Hilbert space (RKHS). A previously proposed kernel PLS regression model was proven to be competitive with other regularized regression methods in RKHS. The family of nonlinear kernel-based PLS models is extended by considering the kernel PLS method for discrimination. Theoretical and experimental results on a two-class discrimination problem indicate usefulness of the method.

  6. Increasing accuracy of dispersal kernels in grid-based population models

    USGS Publications Warehouse

    Slone, D.H.

    2011-01-01

    Dispersal kernels in grid-based population models specify the proportion, distance and direction of movements within the model landscape. Spatial errors in dispersal kernels can have large compounding effects on model accuracy. Circular Gaussian and Laplacian dispersal kernels at a range of spatial resolutions were investigated, and methods for minimizing errors caused by the discretizing process were explored. Kernels of progressively smaller sizes relative to the landscape grid size were calculated using cell-integration and cell-center methods. These kernels were convolved repeatedly, and the final distribution was compared with a reference analytical solution. For large Gaussian kernels (σ > 10 cells), the total kernel error was <10 &sup-11; compared to analytical results. Using an invasion model that tracked the time a population took to reach a defined goal, the discrete model results were comparable to the analytical reference. With Gaussian kernels that had σ ≤ 0.12 using the cell integration method, or σ ≤ 0.22 using the cell center method, the kernel error was greater than 10%, which resulted in invasion times that were orders of magnitude different than theoretical results. A goal-seeking routine was developed to adjust the kernels to minimize overall error. With this, corrections for small kernels were found that decreased overall kernel error to <10-11 and invasion time error to <5%.

  7. ELECTRON PROBE MICROANALYSIS OF IRRADIATED AND 1600°C SAFETY-TESTED AGR-1 TRISO FUEL PARTICLES WITH LOW AND HIGH RETAINED 110MAG

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wright, Karen E.; van Rooyen, Isabella J.

    2016-11-01

    AGR-1 fuel Compact 4-3-3 achieved 18.63% FIMA and was exposed subsequently to a safety test at 1600°C. Two particles, AGR1-433-003 and AGR1-433-007, with measured-to-calculated 110mAg inventories of <22% and 100%, respectively, were selected for comparative electron microprobe analysis to determine whether the distribution or abundance of fission products differed proximally and distally from the deformed kernel in AGR1-433-003, and how this compared to fission product distribution in AGR1-433-007. On the deformed side of AGR1-433-003, Xe, Cs, I, Eu, Sr, and Te concentrations in the kernel buffer interface near the protruded kernel were up to six times higher than on themore » opposite, non-deformed side. At the SiC-inner pyrolytic carbon (IPyC) interface proximal to the deformed kernel, Pd and Ag concentrations were 1.2 wt% and 0.04 wt% respectively, whereas on the SiC-IPyC interface distal from the kernel deformation those elements measured 0.4 and 0.01 wt%, respectively. Palladium and Ag concentrations at the SiC-IPyC interface of AGR1-433-007 were 2.05 and 0.05 wt.%, respectively. Rare earth element concentrations at the SiC-IPyC interface of AGR1-433-007 were a factor of ten higher than at the SiC-IPyC interfaces measured in particle AGR1-433-003. Palladium permeated the SiC layer of AGR1-433-007 and the non-deformed SiC layer of AGR1-433-003.« less

  8. On the Asymptotic Behavior of the Kernel Function in the Generalized Langevin Equation: A One-Dimensional Lattice Model

    NASA Astrophysics Data System (ADS)

    Chu, Weiqi; Li, Xiantao

    2018-01-01

    We present some estimates for the memory kernel function in the generalized Langevin equation, derived using the Mori-Zwanzig formalism from a one-dimensional lattice model, in which the particles interactions are through nearest and second nearest neighbors. The kernel function can be explicitly expressed in a matrix form. The analysis focuses on the decay properties, both spatially and temporally, revealing a power-law behavior in both cases. The dependence on the level of coarse-graining is also studied.

  9. An iterative kernel based method for fourth order nonlinear equation with nonlinear boundary condition

    NASA Astrophysics Data System (ADS)

    Azarnavid, Babak; Parand, Kourosh; Abbasbandy, Saeid

    2018-06-01

    This article discusses an iterative reproducing kernel method with respect to its effectiveness and capability of solving a fourth-order boundary value problem with nonlinear boundary conditions modeling beams on elastic foundations. Since there is no method of obtaining reproducing kernel which satisfies nonlinear boundary conditions, the standard reproducing kernel methods cannot be used directly to solve boundary value problems with nonlinear boundary conditions as there is no knowledge about the existence and uniqueness of the solution. The aim of this paper is, therefore, to construct an iterative method by the use of a combination of reproducing kernel Hilbert space method and a shooting-like technique to solve the mentioned problems. Error estimation for reproducing kernel Hilbert space methods for nonlinear boundary value problems have yet to be discussed in the literature. In this paper, we present error estimation for the reproducing kernel method to solve nonlinear boundary value problems probably for the first time. Some numerical results are given out to demonstrate the applicability of the method.

  10. Kinetic study of Chromium VI adsorption onto palm kernel shell activated carbon

    NASA Astrophysics Data System (ADS)

    Mohammad, Masita; Sadeghi Louyeh, Shiva; Yaakob, Zahira

    2018-04-01

    Heavy metal contamination of industrial effluent is one of the significant environmental problems due to their toxicity and its accumulation throughout the food chain. Adsorption is one of the promising methods for removal of heavy metals from aqua solution because of its simple technique, efficient, reliable and low-cost due to the utilization of residue from the agricultural industry. In this study, activated carbon from palm kernel shells has been produced through chemical activation process using zinc chloride as an activating agent and carbonized at 800 °C. Palm kernel shell activated carbon, PAC was assessed for its efficiency to remove Chromium (VI) ions from aqueous solutions through a batch adsorption process. The kinetic mechanisms have been analysed using Lagergren first-order kinetics model, second-order kinetics model and intra-particle diffusion model. The characterizations such as BET surface area, surface morphology, SEM-EDX have been done. The result shows that the activation process by ZnCl2 was successfully improved the porosity and modified the functional group of palm kernel shell. The result shows that the maximum adsorption capacity of Cr is 11.40mg/g at 30ppm initial metal ion concentration and 0.1g/50mL of adsorbent concentration. The adsorption process followed the pseudo second orders kinetic model.

  11. Effect of surfactant concentration and solidification temperature on the characteristics and stability of nanostructured lipid carrier (NLC) prepared from rambutan (Nephelium lappaceum L.) kernel fat.

    PubMed

    Witayaudom, Pimchanok; Klinkesorn, Utai

    2017-11-01

    Nanostructured lipid carrier (NLC) was fabricated from rambutan (Nephelium lappaceum L.) kernel fat stabilized with Tween 80 in this present work. The influence of the Tween 80 concentration (0.025, 0.05, 0.1, 0.2, 0.5 and 1.0wt%) and solidification temperature (5 and 25°C) on the characteristics and stability of the NLC were investigated. The results showed that an increase in the Tween 80 concentration caused decreased zeta-potential (ζ-potential) and particle size (Z-average) with no significant effect on the polydispersity index (PDI). Lipid particles in the NLC at all Tween 80 concentrations had a tendency to grow and the PDI tended to increase due to Ostwald ripening upon storage over 28days. At least 0.2wt% Tween 80 concentrations could be used to stabilize 1wt% rambutan NLC. The solidification temperature affected the microstructure, melting behavior and stability of rambutan NLC. Pre-solidification at 5°C could create stable NLC with monodispersed-spherical lipid particles. Consequently, these stable NLC particles produced from rambutan kernel fat may serve as useful carriers for the delivery of bioactive lipophilic nutraceuticals. Copyright © 2017 Elsevier Inc. All rights reserved.

  12. Generalized Langevin equation with tempered memory kernel

    NASA Astrophysics Data System (ADS)

    Liemert, André; Sandev, Trifce; Kantz, Holger

    2017-01-01

    We study a generalized Langevin equation for a free particle in presence of a truncated power-law and Mittag-Leffler memory kernel. It is shown that in presence of truncation, the particle from subdiffusive behavior in the short time limit, turns to normal diffusion in the long time limit. The case of harmonic oscillator is considered as well, and the relaxation functions and the normalized displacement correlation function are represented in an exact form. By considering external time-dependent periodic force we obtain resonant behavior even in case of a free particle due to the influence of the environment on the particle movement. Additionally, the double-peak phenomenon in the imaginary part of the complex susceptibility is observed. It is obtained that the truncation parameter has a huge influence on the behavior of these quantities, and it is shown how the truncation parameter changes the critical frequencies. The normalized displacement correlation function for a fractional generalized Langevin equation is investigated as well. All the results are exact and given in terms of the three parameter Mittag-Leffler function and the Prabhakar generalized integral operator, which in the kernel contains a three parameter Mittag-Leffler function. Such kind of truncated Langevin equation motion can be of high relevance for the description of lateral diffusion of lipids and proteins in cell membranes.

  13. 7 CFR 51.2105 - U.S. Fancy.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ..., split or broken kernels, particles and dust, and free from injury caused by chipped and scratched... and metal; (e) For particles and dust. One-tenth of 1 percent (0.10 percent); and, (f) For other...

  14. 7 CFR 51.2107 - U.S. No. 1.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ..., split or broken kernels, particles and dust, and free from damage caused by chipped and scratched... percent). No part of this percentage shall be allowed for glass and metal; (e) For particles and dust. One...

  15. 7 CFR 51.2105 - U.S. Fancy.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ..., split or broken kernels, particles and dust, and free from injury caused by chipped and scratched... and metal; (e) For particles and dust. One-tenth of 1 percent (0.10 percent); and, (f) For other...

  16. 7 CFR 51.2107 - U.S. No. 1.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ..., split or broken kernels, particles and dust, and free from damage caused by chipped and scratched... percent). No part of this percentage shall be allowed for glass and metal; (e) For particles and dust. One...

  17. 7 CFR 51.2107 - U.S. No. 1.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... decay, rancidity, insect injury, foreign material, doubles, split or broken kernels, particles and dust... shall be allowed for glass and metal; (e) For particles and dust. One-tenth of 1 percent (0.10 percent...

  18. Anatomically-Aided PET Reconstruction Using the Kernel Method

    PubMed Central

    Hutchcroft, Will; Wang, Guobao; Chen, Kevin T.; Catana, Ciprian; Qi, Jinyi

    2016-01-01

    This paper extends the kernel method that was proposed previously for dynamic PET reconstruction, to incorporate anatomical side information into the PET reconstruction model. In contrast to existing methods that incorporate anatomical information using a penalized likelihood framework, the proposed method incorporates this information in the simpler maximum likelihood (ML) formulation and is amenable to ordered subsets. The new method also does not require any segmentation of the anatomical image to obtain edge information. We compare the kernel method with the Bowsher method for anatomically-aided PET image reconstruction through a simulated data set. Computer simulations demonstrate that the kernel method offers advantages over the Bowsher method in region of interest (ROI) quantification. Additionally the kernel method is applied to a 3D patient data set. The kernel method results in reduced noise at a matched contrast level compared with the conventional ML expectation maximization (EM) algorithm. PMID:27541810

  19. Anatomically-aided PET reconstruction using the kernel method.

    PubMed

    Hutchcroft, Will; Wang, Guobao; Chen, Kevin T; Catana, Ciprian; Qi, Jinyi

    2016-09-21

    This paper extends the kernel method that was proposed previously for dynamic PET reconstruction, to incorporate anatomical side information into the PET reconstruction model. In contrast to existing methods that incorporate anatomical information using a penalized likelihood framework, the proposed method incorporates this information in the simpler maximum likelihood (ML) formulation and is amenable to ordered subsets. The new method also does not require any segmentation of the anatomical image to obtain edge information. We compare the kernel method with the Bowsher method for anatomically-aided PET image reconstruction through a simulated data set. Computer simulations demonstrate that the kernel method offers advantages over the Bowsher method in region of interest quantification. Additionally the kernel method is applied to a 3D patient data set. The kernel method results in reduced noise at a matched contrast level compared with the conventional ML expectation maximization algorithm.

  20. Anatomically-aided PET reconstruction using the kernel method

    NASA Astrophysics Data System (ADS)

    Hutchcroft, Will; Wang, Guobao; Chen, Kevin T.; Catana, Ciprian; Qi, Jinyi

    2016-09-01

    This paper extends the kernel method that was proposed previously for dynamic PET reconstruction, to incorporate anatomical side information into the PET reconstruction model. In contrast to existing methods that incorporate anatomical information using a penalized likelihood framework, the proposed method incorporates this information in the simpler maximum likelihood (ML) formulation and is amenable to ordered subsets. The new method also does not require any segmentation of the anatomical image to obtain edge information. We compare the kernel method with the Bowsher method for anatomically-aided PET image reconstruction through a simulated data set. Computer simulations demonstrate that the kernel method offers advantages over the Bowsher method in region of interest quantification. Additionally the kernel method is applied to a 3D patient data set. The kernel method results in reduced noise at a matched contrast level compared with the conventional ML expectation maximization algorithm.

  1. Local Observed-Score Kernel Equating

    ERIC Educational Resources Information Center

    Wiberg, Marie; van der Linden, Wim J.; von Davier, Alina A.

    2014-01-01

    Three local observed-score kernel equating methods that integrate methods from the local equating and kernel equating frameworks are proposed. The new methods were compared with their earlier counterparts with respect to such measures as bias--as defined by Lord's criterion of equity--and percent relative error. The local kernel item response…

  2. Ranking Support Vector Machine with Kernel Approximation

    PubMed Central

    Dou, Yong

    2017-01-01

    Learning to rank algorithm has become important in recent years due to its successful application in information retrieval, recommender system, and computational biology, and so forth. Ranking support vector machine (RankSVM) is one of the state-of-art ranking models and has been favorably used. Nonlinear RankSVM (RankSVM with nonlinear kernels) can give higher accuracy than linear RankSVM (RankSVM with a linear kernel) for complex nonlinear ranking problem. However, the learning methods for nonlinear RankSVM are still time-consuming because of the calculation of kernel matrix. In this paper, we propose a fast ranking algorithm based on kernel approximation to avoid computing the kernel matrix. We explore two types of kernel approximation methods, namely, the Nyström method and random Fourier features. Primal truncated Newton method is used to optimize the pairwise L2-loss (squared Hinge-loss) objective function of the ranking model after the nonlinear kernel approximation. Experimental results demonstrate that our proposed method gets a much faster training speed than kernel RankSVM and achieves comparable or better performance over state-of-the-art ranking algorithms. PMID:28293256

  3. Ranking Support Vector Machine with Kernel Approximation.

    PubMed

    Chen, Kai; Li, Rongchun; Dou, Yong; Liang, Zhengfa; Lv, Qi

    2017-01-01

    Learning to rank algorithm has become important in recent years due to its successful application in information retrieval, recommender system, and computational biology, and so forth. Ranking support vector machine (RankSVM) is one of the state-of-art ranking models and has been favorably used. Nonlinear RankSVM (RankSVM with nonlinear kernels) can give higher accuracy than linear RankSVM (RankSVM with a linear kernel) for complex nonlinear ranking problem. However, the learning methods for nonlinear RankSVM are still time-consuming because of the calculation of kernel matrix. In this paper, we propose a fast ranking algorithm based on kernel approximation to avoid computing the kernel matrix. We explore two types of kernel approximation methods, namely, the Nyström method and random Fourier features. Primal truncated Newton method is used to optimize the pairwise L2-loss (squared Hinge-loss) objective function of the ranking model after the nonlinear kernel approximation. Experimental results demonstrate that our proposed method gets a much faster training speed than kernel RankSVM and achieves comparable or better performance over state-of-the-art ranking algorithms.

  4. An O( N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles

    DOE PAGES

    Jiang, Xikai; Li, Jiyuan; Zhao, Xujun; ...

    2016-08-10

    Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct computational evaluation requires O( N 2) operations, where N is the number of unknowns. Such a scaling, which arises from the many-body nature of the relevant Green's function, has precluded wide-spread adoption of integral methods for solution of large-scale scientific and engineering problems. In this work, a parallel computational approach is presented that relies on using scalable open source libraries and utilizes a kernel-independent Fast Multipole Methodmore » (FMM) to evaluate the integrals in O( N) operations, with O( N) memory cost, thereby substantially improving the scalability and efficiency of computational integral methods. We demonstrate the accuracy, efficiency, and scalability of our approach in the context of two examples. In the first, we solve a boundary value problem for a ferroelectric/ferromagnetic volume in free space. In the second, we solve an electrostatic problem involving polarizable dielectric bodies in an unbounded dielectric medium. Lastly, the results from these test cases show that our proposed parallel approach, which is built on a kernel-independent FMM, can enable highly efficient and accurate simulations and allow for considerable flexibility in a broad range of applications.« less

  5. 7 CFR 51.2109 - U.S. Standard Sheller Run.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ..., doubles, split or broken kernels, particles and dust, and free from damage caused by chipped and scratched... percent (0.20 percent). No part of this percentage shall be allowed for glass and metal; (e) For particles...

  6. 7 CFR 51.2109 - U.S. Standard Sheller Run.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ..., insect injury, foreign material, doubles, split or broken kernels, particles and dust, and free from... glass and metal; (e) For particles and dust. One-tenth of 1 percent (0.10 percent); and, (f) For other...

  7. 7 CFR 51.2106 - U.S. Extra No. 1.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ..., doubles, split or broken kernels, particles and dust, and free from damage caused by chipped and scratched... percent). No part of this percentage shall be allowed for glass and metal; (e) For particles and dust. One...

  8. 7 CFR 51.2106 - U.S. Extra No. 1.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ..., doubles, split or broken kernels, particles and dust, and free from damage caused by chipped and scratched... percent). No part of this percentage shall be allowed for glass and metal; (e) For particles and dust. One...

  9. 7 CFR 51.2109 - U.S. Standard Sheller Run.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ..., insect injury, foreign material, doubles, split or broken kernels, particles and dust, and free from... glass and metal; (e) For particles and dust. One-tenth of 1 percent (0.10 percent); and, (f) For other...

  10. 7 CFR 51.2106 - U.S. Extra No. 1.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ..., particles and dust, and free from damage caused by chipped and scratched kernels, mold, gum, shriveling... percentage shall be allowed for glass and metal; (e) For particles and dust. One-tenth of 1 percent (0.10...

  11. Mathematical inference in one point microrheology

    NASA Astrophysics Data System (ADS)

    Hohenegger, Christel; McKinley, Scott

    2016-11-01

    Pioneered by the work of Mason and Weitz, one point passive microrheology has been successfully applied to obtaining estimates of the loss and storage modulus of viscoelastic fluids when the mean-square displacement obeys a local power law. Using numerical simulations of a fluctuating viscoelastic fluid model, we study the problem of recovering the mechanical parameters of the fluid's memory kernel using statistical inference like mean-square displacements and increment auto-correlation functions. Seeking a better understanding of the influence of the assumptions made in the inversion process, we mathematically quantify the uncertainty in traditional one point microrheology for simulated data and demonstrate that a large family of memory kernels yields the same statistical signature. We consider both simulated data obtained from a full viscoelastic fluid simulation of the unsteady Stokes equations with fluctuations and from a Generalized Langevin Equation of the particle's motion described by the same memory kernel. From the theory of inverse problems, we propose an alternative method that can be used to recover information about the loss and storage modulus and discuss its limitations and uncertainties. NSF-DMS 1412998.

  12. HBTprogs Version 1.0

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, D; Danielewicz, P

    2002-03-15

    This is the manual for a collection of programs that can be used to invert angled-averaged (i.e. one dimensional) two-particle correlation functions. This package consists of several programs that generate kernel matrices (basically the relative wavefunction of the pair, squared), programs that generate test correlation functions from test sources of various types and the program that actually inverts the data using the kernel matrix.

  13. Application of kernel method in fluorescence molecular tomography

    NASA Astrophysics Data System (ADS)

    Zhao, Yue; Baikejiang, Reheman; Li, Changqing

    2017-02-01

    Reconstruction of fluorescence molecular tomography (FMT) is an ill-posed inverse problem. Anatomical guidance in the FMT reconstruction can improve FMT reconstruction efficiently. We have developed a kernel method to introduce the anatomical guidance into FMT robustly and easily. The kernel method is from machine learning for pattern analysis and is an efficient way to represent anatomical features. For the finite element method based FMT reconstruction, we calculate a kernel function for each finite element node from an anatomical image, such as a micro-CT image. Then the fluorophore concentration at each node is represented by a kernel coefficient vector and the corresponding kernel function. In the FMT forward model, we have a new system matrix by multiplying the sensitivity matrix with the kernel matrix. Thus, the kernel coefficient vector is the unknown to be reconstructed following a standard iterative reconstruction process. We convert the FMT reconstruction problem into the kernel coefficient reconstruction problem. The desired fluorophore concentration at each node can be calculated accordingly. Numerical simulation studies have demonstrated that the proposed kernel-based algorithm can improve the spatial resolution of the reconstructed FMT images. In the proposed kernel method, the anatomical guidance can be obtained directly from the anatomical image and is included in the forward modeling. One of the advantages is that we do not need to segment the anatomical image for the targets and background.

  14. A survey of kernel-type estimators for copula and their applications

    NASA Astrophysics Data System (ADS)

    Sumarjaya, I. W.

    2017-10-01

    Copulas have been widely used to model nonlinear dependence structure. Main applications of copulas include areas such as finance, insurance, hydrology, rainfall to name but a few. The flexibility of copula allows researchers to model dependence structure beyond Gaussian distribution. Basically, a copula is a function that couples multivariate distribution functions to their one-dimensional marginal distribution functions. In general, there are three methods to estimate copula. These are parametric, nonparametric, and semiparametric method. In this article we survey kernel-type estimators for copula such as mirror reflection kernel, beta kernel, transformation method and local likelihood transformation method. Then, we apply these kernel methods to three stock indexes in Asia. The results of our analysis suggest that, albeit variation in information criterion values, the local likelihood transformation method performs better than the other kernel methods.

  15. Interactions of non-spherical particles in simple flows

    NASA Astrophysics Data System (ADS)

    Niazi, Mehdi; Brandt, Luca; Costa, Pedro; Breugem, Wim-Paul

    2015-11-01

    The behavior of particles in a flow affects the global transport and rheological properties of the mixture. In recent years much effort has been therefore devoted to the development of an efficient method for the direct numerical simulation (DNS) of the motion of spherical rigid particles immersed in an incompressible fluid. However, the literature on non-spherical particle suspensions is quite scarce despite the fact that these are more frequent. We develop a numerical algorithm to simulate finite-size spheroid particles in shear flows to gain new understanding of the flow of particle suspensions. In particular, we wish to understand the role of inertia and its effect on the flow behavior. For this purpose, DNS simulations with a direct-forcing immersed boundary method are used, with collision and lubrication models for particle-particle and particle-wall interactions. We will discuss pair interactions, relative motion and rotation, of two sedimenting spheroids and show that the interaction time increases significantly for non-spherical particles. More interestingly, we show that the particles are attracted to each other from larger lateral displacements. This has important implications for collision kernels. This work was supported by the European Research Council Grant No. ERC-2013-CoG-616186, TRITOS, and by the Swedish Research Council (VR).

  16. On The Cloud Processing of Aerosol Particles: An Entraining Air Parcel Model With Two-dimensional Spectral Cloud Microphysics and A New Formulation of The Collection Kernel

    NASA Astrophysics Data System (ADS)

    Bott, Andreas; Kerkweg, Astrid; Wurzler, Sabine

    A study has been made of the modification of aerosol spectra due to cloud pro- cesses and the impact of the modified aerosols on the microphysical structure of future clouds. For this purpose an entraining air parcel model with two-dimensional spectral cloud microphysics has been used. In order to treat collision/coalescence processes in the two-dimensional microphysical module, a new realistic and continuous formu- lation of the collection kernel has been developed. Based on experimental data, the kernel covers the entire investigated size range of aerosols, cloud and rain drops, that is the kernel combines all important coalescence processes such as the collision of cloud drops as well as the impaction scavenging of small aerosols by big raindrops. Since chemical reactions in the gas phase and in cloud drops have an important impact on the physico-chemical properties of aerosol particles, the parcel model has been extended by a chemical module describing gas phase and aqueous phase chemical reactions. However, it will be shown that in the numerical case studies presented in this paper the modification of aerosols by chemical reactions has a minor influence on the microphysical structure of future clouds. The major process yielding in a second cloud event an enhanced formation of rain is the production of large aerosol particles by collision/coalescence processes in the first cloud.

  17. NUMERICAL CONVERGENCE IN SMOOTHED PARTICLE HYDRODYNAMICS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhu, Qirong; Li, Yuexing; Hernquist, Lars

    2015-02-10

    We study the convergence properties of smoothed particle hydrodynamics (SPH) using numerical tests and simple analytic considerations. Our analysis shows that formal numerical convergence is possible in SPH only in the joint limit N → ∞, h → 0, and N{sub nb} → ∞, where N is the total number of particles, h is the smoothing length, and N{sub nb} is the number of neighbor particles within the smoothing volume used to compute smoothed estimates. Previous work has generally assumed that the conditions N → ∞ and h → 0 are sufficient to achieve convergence, while holding N{sub nb} fixed.more » We demonstrate that if N{sub nb} is held fixed as the resolution is increased, there will be a residual source of error that does not vanish as N → ∞ and h → 0. Formal numerical convergence in SPH is possible only if N{sub nb} is increased systematically as the resolution is improved. Using analytic arguments, we derive an optimal compromise scaling for N{sub nb} by requiring that this source of error balance that present in the smoothing procedure. For typical choices of the smoothing kernel, we find N{sub nb} ∝N {sup 0.5}. This means that if SPH is to be used as a numerically convergent method, the required computational cost does not scale with particle number as O(N), but rather as O(N {sup 1} {sup +} {sup δ}), where δ ≈ 0.5, with a weak dependence on the form of the smoothing kernel.« less

  18. Suspended liquid particle disturbance on laser-induced blast wave and low density distribution

    NASA Astrophysics Data System (ADS)

    Ukai, Takahiro; Zare-Behtash, Hossein; Kontis, Konstantinos

    2017-12-01

    The impurity effect of suspended liquid particles on the laser-induced gas breakdown was experimentally investigated in quiescent gas. The focus of this study is the investigation of the influence of the impurities on the shock wave structure as well as the low density distribution. A 532 nm Nd:YAG laser beam with an 188 mJ/pulse was focused on the chamber filled with suspended liquid particles 0.9 ± 0.63 μm in diameter. Several shock waves are generated by multiple gas breakdowns along the beam path in the breakdown with particles. Four types of shock wave structures can be observed: (1) the dual blast waves with a similar shock radius, (2) the dual blast waves with a large shock radius at the lower breakdown, (3) the dual blast waves with a large shock radius at the upper breakdown, and (4) the triple blast waves. The independent blast waves interact with each other and enhance the shock strength behind the shock front in the lateral direction. The triple blast waves lead to the strongest shock wave in all cases. The shock wave front that propagates toward the opposite laser focal spot impinges on one another, and thereafter a transmitted shock wave (TSW) appears. The TSW interacts with the low density core called a kernel; the kernel then longitudinally expands quickly due to a Richtmyer-Meshkov-like instability. The laser-particle interaction causes an increase in the kernel volume which is approximately five times as large as that in the gas breakdown without particles. In addition, the laser-particle interaction can improve the laser energy efficiency.

  19. Particle-in-cell simulations on graphic processing units

    NASA Astrophysics Data System (ADS)

    Ren, C.; Zhou, X.; Li, J.; Huang, M. C.; Zhao, Y.

    2014-10-01

    We will show our recent progress in using GPU's to accelerate the PIC code OSIRIS [Fonseca et al. LNCS 2331, 342 (2002)]. The OISRIS parallel structure is retained and the computation-intensive kernels are shipped to GPU's. Algorithms for the kernels are adapted for the GPU, including high-order charge-conserving current deposition schemes with few branching and parallel particle sorting [Kong et al., JCP 230, 1676 (2011)]. These algorithms make efficient use of the GPU shared memory. This work was supported by U.S. Department of Energy under Grant No. DE-FC02-04ER54789 and by NSF under Grant No. PHY-1314734.

  20. Multiple Kernel Sparse Representation based Orthogonal Discriminative Projection and Its Cost-Sensitive Extension.

    PubMed

    Zhang, Guoqing; Sun, Huaijiang; Xia, Guiyu; Sun, Quansen

    2016-07-07

    Sparse representation based classification (SRC) has been developed and shown great potential for real-world application. Based on SRC, Yang et al. [10] devised a SRC steered discriminative projection (SRC-DP) method. However, as a linear algorithm, SRC-DP cannot handle the data with highly nonlinear distribution. Kernel sparse representation-based classifier (KSRC) is a non-linear extension of SRC and can remedy the drawback of SRC. KSRC requires the use of a predetermined kernel function and selection of the kernel function and its parameters is difficult. Recently, multiple kernel learning for SRC (MKL-SRC) [22] has been proposed to learn a kernel from a set of base kernels. However, MKL-SRC only considers the within-class reconstruction residual while ignoring the between-class relationship, when learning the kernel weights. In this paper, we propose a novel multiple kernel sparse representation-based classifier (MKSRC), and then we use it as a criterion to design a multiple kernel sparse representation based orthogonal discriminative projection method (MK-SR-ODP). The proposed algorithm aims at learning a projection matrix and a corresponding kernel from the given base kernels such that in the low dimension subspace the between-class reconstruction residual is maximized and the within-class reconstruction residual is minimized. Furthermore, to achieve a minimum overall loss by performing recognition in the learned low-dimensional subspace, we introduce cost information into the dimensionality reduction method. The solutions for the proposed method can be efficiently found based on trace ratio optimization method [33]. Extensive experimental results demonstrate the superiority of the proposed algorithm when compared with the state-of-the-art methods.

  1. Improving prediction of heterodimeric protein complexes using combination with pairwise kernel.

    PubMed

    Ruan, Peiying; Hayashida, Morihiro; Akutsu, Tatsuya; Vert, Jean-Philippe

    2018-02-19

    Since many proteins become functional only after they interact with their partner proteins and form protein complexes, it is essential to identify the sets of proteins that form complexes. Therefore, several computational methods have been proposed to predict complexes from the topology and structure of experimental protein-protein interaction (PPI) network. These methods work well to predict complexes involving at least three proteins, but generally fail at identifying complexes involving only two different proteins, called heterodimeric complexes or heterodimers. There is however an urgent need for efficient methods to predict heterodimers, since the majority of known protein complexes are precisely heterodimers. In this paper, we use three promising kernel functions, Min kernel and two pairwise kernels, which are Metric Learning Pairwise Kernel (MLPK) and Tensor Product Pairwise Kernel (TPPK). We also consider the normalization forms of Min kernel. Then, we combine Min kernel or its normalization form and one of the pairwise kernels by plugging. We applied kernels based on PPI, domain, phylogenetic profile, and subcellular localization properties to predicting heterodimers. Then, we evaluate our method by employing C-Support Vector Classification (C-SVC), carrying out 10-fold cross-validation, and calculating the average F-measures. The results suggest that the combination of normalized-Min-kernel and MLPK leads to the best F-measure and improved the performance of our previous work, which had been the best existing method so far. We propose new methods to predict heterodimers, using a machine learning-based approach. We train a support vector machine (SVM) to discriminate interacting vs non-interacting protein pairs, based on informations extracted from PPI, domain, phylogenetic profiles and subcellular localization. We evaluate in detail new kernel functions to encode these data, and report prediction performance that outperforms the state-of-the-art.

  2. Optimal projection method determination by Logdet Divergence and perturbed von-Neumann Divergence.

    PubMed

    Jiang, Hao; Ching, Wai-Ki; Qiu, Yushan; Cheng, Xiao-Qing

    2017-12-14

    Positive semi-definiteness is a critical property in kernel methods for Support Vector Machine (SVM) by which efficient solutions can be guaranteed through convex quadratic programming. However, a lot of similarity functions in applications do not produce positive semi-definite kernels. We propose projection method by constructing projection matrix on indefinite kernels. As a generalization of the spectrum method (denoising method and flipping method), the projection method shows better or comparable performance comparing to the corresponding indefinite kernel methods on a number of real world data sets. Under the Bregman matrix divergence theory, we can find suggested optimal λ in projection method using unconstrained optimization in kernel learning. In this paper we focus on optimal λ determination, in the pursuit of precise optimal λ determination method in unconstrained optimization framework. We developed a perturbed von-Neumann divergence to measure kernel relationships. We compared optimal λ determination with Logdet Divergence and perturbed von-Neumann Divergence, aiming at finding better λ in projection method. Results on a number of real world data sets show that projection method with optimal λ by Logdet divergence demonstrate near optimal performance. And the perturbed von-Neumann Divergence can help determine a relatively better optimal projection method. Projection method ia easy to use for dealing with indefinite kernels. And the parameter embedded in the method can be determined through unconstrained optimization under Bregman matrix divergence theory. This may provide a new way in kernel SVMs for varied objectives.

  3. 7 CFR 51.1437 - Size classifications for halves.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... weight of half-kernels after all pieces, particles and dust, shell, center wall, and foreign material..., particles, and dust. In order to allow for variations incident to proper sizing and handling, not more than 15 percent, by weight, of any lot may consist of pieces, particles, and dust: Provided, That not more...

  4. 7 CFR 51.1437 - Size classifications for halves.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... weight of half-kernels after all pieces, particles and dust, shell, center wall, and foreign material..., particles, and dust. In order to allow for variations incident to proper sizing and handling, not more than 15 percent, by weight, of any lot may consist of pieces, particles, and dust: Provided, That not more...

  5. 7 CFR 51.1437 - Size classifications for halves.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... halves per pound shall be based upon the weight of half-kernels after all pieces, particles and dust... specified range. (d) Tolerances for pieces, particles, and dust. In order to allow for variations incident..., particles, and dust: Provided, That not more than one-third of this amount, or 5 percent, shall be allowed...

  6. 7 CFR 51.1437 - Size classifications for halves.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... weight of half-kernels after all pieces, particles and dust, shell, center wall, and foreign material..., particles, and dust. In order to allow for variations incident to proper sizing and handling, not more than 15 percent, by weight, of any lot may consist of pieces, particles, and dust: Provided, That not more...

  7. 7 CFR 51.1437 - Size classifications for halves.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... halves per pound shall be based upon the weight of half-kernels after all pieces, particles and dust... specified range. (d) Tolerances for pieces, particles, and dust. In order to allow for variations incident..., particles, and dust: Provided, That not more than one-third of this amount, or 5 percent, shall be allowed...

  8. Exploiting graph kernels for high performance biomedical relation extraction.

    PubMed

    Panyam, Nagesh C; Verspoor, Karin; Cohn, Trevor; Ramamohanarao, Kotagiri

    2018-01-30

    Relation extraction from biomedical publications is an important task in the area of semantic mining of text. Kernel methods for supervised relation extraction are often preferred over manual feature engineering methods, when classifying highly ordered structures such as trees and graphs obtained from syntactic parsing of a sentence. Tree kernels such as the Subset Tree Kernel and Partial Tree Kernel have been shown to be effective for classifying constituency parse trees and basic dependency parse graphs of a sentence. Graph kernels such as the All Path Graph kernel (APG) and Approximate Subgraph Matching (ASM) kernel have been shown to be suitable for classifying general graphs with cycles, such as the enhanced dependency parse graph of a sentence. In this work, we present a high performance Chemical-Induced Disease (CID) relation extraction system. We present a comparative study of kernel methods for the CID task and also extend our study to the Protein-Protein Interaction (PPI) extraction task, an important biomedical relation extraction task. We discuss novel modifications to the ASM kernel to boost its performance and a method to apply graph kernels for extracting relations expressed in multiple sentences. Our system for CID relation extraction attains an F-score of 60%, without using external knowledge sources or task specific heuristic or rules. In comparison, the state of the art Chemical-Disease Relation Extraction system achieves an F-score of 56% using an ensemble of multiple machine learning methods, which is then boosted to 61% with a rule based system employing task specific post processing rules. For the CID task, graph kernels outperform tree kernels substantially, and the best performance is obtained with APG kernel that attains an F-score of 60%, followed by the ASM kernel at 57%. The performance difference between the ASM and APG kernels for CID sentence level relation extraction is not significant. In our evaluation of ASM for the PPI task, ASM performed better than APG kernel for the BioInfer dataset, in the Area Under Curve (AUC) measure (74% vs 69%). However, for all the other PPI datasets, namely AIMed, HPRD50, IEPA and LLL, ASM is substantially outperformed by the APG kernel in F-score and AUC measures. We demonstrate a high performance Chemical Induced Disease relation extraction, without employing external knowledge sources or task specific heuristics. Our work shows that graph kernels are effective in extracting relations that are expressed in multiple sentences. We also show that the graph kernels, namely the ASM and APG kernels, substantially outperform the tree kernels. Among the graph kernels, we showed the ASM kernel as effective for biomedical relation extraction, with comparable performance to the APG kernel for datasets such as the CID-sentence level relation extraction and BioInfer in PPI. Overall, the APG kernel is shown to be significantly more accurate than the ASM kernel, achieving better performance on most datasets.

  9. The use of kernel density estimators in breakthrough curve reconstruction and advantages in risk analysis

    NASA Astrophysics Data System (ADS)

    Siirila, E. R.; Fernandez-Garcia, D.; Sanchez-Vila, X.

    2014-12-01

    Particle tracking (PT) techniques, often considered favorable over Eulerian techniques due to artificial smoothening in breakthrough curves (BTCs), are evaluated in a risk-driven framework. Recent work has shown that given a relatively few number of particles (np), PT methods can yield well-constructed BTCs with kernel density estimators (KDEs). This work compares KDE and non-KDE BTCs simulated as a function of np (102-108) and averaged as a function of the exposure duration, ED. Results show that regardless of BTC shape complexity, un-averaged PT BTCs show a large bias over several orders of magnitude in concentration (C) when compared to the KDE results, remarkably even when np is as low as 102. With the KDE, several orders of magnitude less np are required to obtain the same global error in BTC shape as the PT technique. PT and KDE BTCs are averaged as a function of the ED with standard and new methods incorporating the optimal h (ANA). The lowest error curve is obtained through the ANA method, especially for smaller EDs. Percent error of peak of averaged-BTCs, important in a risk framework, is approximately zero for all scenarios and all methods for np ≥105, but vary between the ANA and PT methods, when np is lower. For fewer np, the ANA solution provides a lower error fit except when C oscillations are present during a short time frame. We show that obtaining a representative average exposure concentration is reliant on an accurate representation of the BTC, especially when data is scarce.

  10. A density-adaptive SPH method with kernel gradient correction for modeling explosive welding

    NASA Astrophysics Data System (ADS)

    Liu, M. B.; Zhang, Z. L.; Feng, D. L.

    2017-09-01

    Explosive welding involves processes like the detonation of explosive, impact of metal structures and strong fluid-structure interaction, while the whole process of explosive welding has not been well modeled before. In this paper, a novel smoothed particle hydrodynamics (SPH) model is developed to simulate explosive welding. In the SPH model, a kernel gradient correction algorithm is used to achieve better computational accuracy. A density adapting technique which can effectively treat large density ratio is also proposed. The developed SPH model is firstly validated by simulating a benchmark problem of one-dimensional TNT detonation and an impact welding problem. The SPH model is then successfully applied to simulate the whole process of explosive welding. It is demonstrated that the presented SPH method can capture typical physics in explosive welding including explosion wave, welding surface morphology, jet flow and acceleration of the flyer plate. The welding angle obtained from the SPH simulation agrees well with that from a kinematic analysis.

  11. The pre-image problem in kernel methods.

    PubMed

    Kwok, James Tin-yau; Tsang, Ivor Wai-hung

    2004-11-01

    In this paper, we address the problem of finding the pre-image of a feature vector in the feature space induced by a kernel. This is of central importance in some kernel applications, such as on using kernel principal component analysis (PCA) for image denoising. Unlike the traditional method which relies on nonlinear optimization, our proposed method directly finds the location of the pre-image based on distance constraints in the feature space. It is noniterative, involves only linear algebra and does not suffer from numerical instability or local minimum problems. Evaluations on performing kernel PCA and kernel clustering on the USPS data set show much improved performance.

  12. Multiple kernel SVR based on the MRE for remote sensing water depth fusion detection

    NASA Astrophysics Data System (ADS)

    Wang, Jinjin; Ma, Yi; Zhang, Jingyu

    2018-03-01

    Remote sensing has an important means of water depth detection in coastal shallow waters and reefs. Support vector regression (SVR) is a machine learning method which is widely used in data regression. In this paper, SVR is used to remote sensing multispectral bathymetry. Aiming at the problem that the single-kernel SVR method has a large error in shallow water depth inversion, the mean relative error (MRE) of different water depth is retrieved as a decision fusion factor with single kernel SVR method, a multi kernel SVR fusion method based on the MRE is put forward. And taking the North Island of the Xisha Islands in China as an experimentation area, the comparison experiments with the single kernel SVR method and the traditional multi-bands bathymetric method are carried out. The results show that: 1) In range of 0 to 25 meters, the mean absolute error(MAE)of the multi kernel SVR fusion method is 1.5m,the MRE is 13.2%; 2) Compared to the 4 single kernel SVR method, the MRE of the fusion method reduced 1.2% (1.9%) 3.4% (1.8%), and compared to traditional multi-bands method, the MRE reduced 1.9%; 3) In 0-5m depth section, compared to the single kernel method and the multi-bands method, the MRE of fusion method reduced 13.5% to 44.4%, and the distribution of points is more concentrated relative to y=x.

  13. High-throughput method for ear phenotyping and kernel weight estimation in maize using ear digital imaging.

    PubMed

    Makanza, R; Zaman-Allah, M; Cairns, J E; Eyre, J; Burgueño, J; Pacheco, Ángela; Diepenbrock, C; Magorokosho, C; Tarekegne, A; Olsen, M; Prasanna, B M

    2018-01-01

    Grain yield, ear and kernel attributes can assist to understand the performance of maize plant under different environmental conditions and can be used in the variety development process to address farmer's preferences. These parameters are however still laborious and expensive to measure. A low-cost ear digital imaging method was developed that provides estimates of ear and kernel attributes i.e., ear number and size, kernel number and size as well as kernel weight from photos of ears harvested from field trial plots. The image processing method uses a script that runs in a batch mode on ImageJ; an open source software. Kernel weight was estimated using the total kernel number derived from the number of kernels visible on the image and the average kernel size. Data showed a good agreement in terms of accuracy and precision between ground truth measurements and data generated through image processing. Broad-sense heritability of the estimated parameters was in the range or higher than that for measured grain weight. Limitation of the method for kernel weight estimation is discussed. The method developed in this work provides an opportunity to significantly reduce the cost of selection in the breeding process, especially for resource constrained crop improvement programs and can be used to learn more about the genetic bases of grain yield determinants.

  14. Kernel-aligned multi-view canonical correlation analysis for image recognition

    NASA Astrophysics Data System (ADS)

    Su, Shuzhi; Ge, Hongwei; Yuan, Yun-Hao

    2016-09-01

    Existing kernel-based correlation analysis methods mainly adopt a single kernel in each view. However, only a single kernel is usually insufficient to characterize nonlinear distribution information of a view. To solve the problem, we transform each original feature vector into a 2-dimensional feature matrix by means of kernel alignment, and then propose a novel kernel-aligned multi-view canonical correlation analysis (KAMCCA) method on the basis of the feature matrices. Our proposed method can simultaneously employ multiple kernels to better capture the nonlinear distribution information of each view, so that correlation features learned by KAMCCA can have well discriminating power in real-world image recognition. Extensive experiments are designed on five real-world image datasets, including NIR face images, thermal face images, visible face images, handwritten digit images, and object images. Promising experimental results on the datasets have manifested the effectiveness of our proposed method.

  15. Feature Extraction of Electronic Nose Signals Using QPSO-Based Multiple KFDA Signal Processing

    PubMed Central

    Wen, Tailai; Huang, Daoyu; Lu, Kun; Deng, Changjian; Zeng, Tanyue; Yu, Song; He, Zhiyi

    2018-01-01

    The aim of this research was to enhance the classification accuracy of an electronic nose (E-nose) in different detecting applications. During the learning process of the E-nose to predict the types of different odors, the prediction accuracy was not quite satisfying because the raw features extracted from sensors’ responses were regarded as the input of a classifier without any feature extraction processing. Therefore, in order to obtain more useful information and improve the E-nose’s classification accuracy, in this paper, a Weighted Kernels Fisher Discriminant Analysis (WKFDA) combined with Quantum-behaved Particle Swarm Optimization (QPSO), i.e., QWKFDA, was presented to reprocess the original feature matrix. In addition, we have also compared the proposed method with quite a few previously existing ones including Principal Component Analysis (PCA), Locality Preserving Projections (LPP), Fisher Discriminant Analysis (FDA) and Kernels Fisher Discriminant Analysis (KFDA). Experimental results proved that QWKFDA is an effective feature extraction method for E-nose in predicting the types of wound infection and inflammable gases, which shared much higher classification accuracy than those of the contrast methods. PMID:29382146

  16. Feature Extraction of Electronic Nose Signals Using QPSO-Based Multiple KFDA Signal Processing.

    PubMed

    Wen, Tailai; Yan, Jia; Huang, Daoyu; Lu, Kun; Deng, Changjian; Zeng, Tanyue; Yu, Song; He, Zhiyi

    2018-01-29

    The aim of this research was to enhance the classification accuracy of an electronic nose (E-nose) in different detecting applications. During the learning process of the E-nose to predict the types of different odors, the prediction accuracy was not quite satisfying because the raw features extracted from sensors' responses were regarded as the input of a classifier without any feature extraction processing. Therefore, in order to obtain more useful information and improve the E-nose's classification accuracy, in this paper, a Weighted Kernels Fisher Discriminant Analysis (WKFDA) combined with Quantum-behaved Particle Swarm Optimization (QPSO), i.e., QWKFDA, was presented to reprocess the original feature matrix. In addition, we have also compared the proposed method with quite a few previously existing ones including Principal Component Analysis (PCA), Locality Preserving Projections (LPP), Fisher Discriminant Analysis (FDA) and Kernels Fisher Discriminant Analysis (KFDA). Experimental results proved that QWKFDA is an effective feature extraction method for E-nose in predicting the types of wound infection and inflammable gases, which shared much higher classification accuracy than those of the contrast methods.

  17. A Unified and Comprehensible View of Parametric and Kernel Methods for Genomic Prediction with Application to Rice.

    PubMed

    Jacquin, Laval; Cao, Tuong-Vi; Ahmadi, Nourollah

    2016-01-01

    One objective of this study was to provide readers with a clear and unified understanding of parametric statistical and kernel methods, used for genomic prediction, and to compare some of these in the context of rice breeding for quantitative traits. Furthermore, another objective was to provide a simple and user-friendly R package, named KRMM, which allows users to perform RKHS regression with several kernels. After introducing the concept of regularized empirical risk minimization, the connections between well-known parametric and kernel methods such as Ridge regression [i.e., genomic best linear unbiased predictor (GBLUP)] and reproducing kernel Hilbert space (RKHS) regression were reviewed. Ridge regression was then reformulated so as to show and emphasize the advantage of the kernel "trick" concept, exploited by kernel methods in the context of epistatic genetic architectures, over parametric frameworks used by conventional methods. Some parametric and kernel methods; least absolute shrinkage and selection operator (LASSO), GBLUP, support vector machine regression (SVR) and RKHS regression were thereupon compared for their genomic predictive ability in the context of rice breeding using three real data sets. Among the compared methods, RKHS regression and SVR were often the most accurate methods for prediction followed by GBLUP and LASSO. An R function which allows users to perform RR-BLUP of marker effects, GBLUP and RKHS regression, with a Gaussian, Laplacian, polynomial or ANOVA kernel, in a reasonable computation time has been developed. Moreover, a modified version of this function, which allows users to tune kernels for RKHS regression, has also been developed and parallelized for HPC Linux clusters. The corresponding KRMM package and all scripts have been made publicly available.

  18. Discontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate forms

    NASA Astrophysics Data System (ADS)

    Hellgren, Maria; Gross, E. K. U.

    2013-11-01

    We present a detailed study of the exact-exchange (EXX) kernel of time-dependent density-functional theory with an emphasis on its discontinuity at integer particle numbers. It was recently found that this exact property leads to sharp peaks and step features in the kernel that diverge in the dissociation limit of diatomic systems [Hellgren and Gross, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.85.022514 85, 022514 (2012)]. To further analyze the discontinuity of the kernel, we here make use of two different approximations to the EXX kernel: the Petersilka Gossmann Gross (PGG) approximation and a common energy denominator approximation (CEDA). It is demonstrated that whereas the PGG approximation neglects the discontinuity, the CEDA includes it explicitly. By studying model molecular systems it is shown that the so-called field-counteracting effect in the density-functional description of molecular chains can be viewed in terms of the discontinuity of the static kernel. The role of the frequency dependence is also investigated, highlighting its importance for long-range charge-transfer excitations as well as inner-shell excitations.

  19. Carbothermic synthesis of 820 μm uranium nitride kernels: Literature review, thermodynamics, analysis, and related experiments

    NASA Astrophysics Data System (ADS)

    Lindemer, T. B.; Voit, S. L.; Silva, C. M.; Besmann, T. M.; Hunt, R. D.

    2014-05-01

    The US Department of Energy is developing a new nuclear fuel that would be less susceptible to ruptures during a loss-of-coolant accident. The fuel would consist of tristructural isotropic coated particles with uranium nitride (UN) kernels with diameters near 825 μm. This effort explores factors involved in the conversion of uranium oxide-carbon microspheres into UN kernels. An analysis of previous studies with sufficient experimental details is provided. Thermodynamic calculations were made to predict pressures of carbon monoxide and other relevant gases for several reactions that can be involved in the conversion of uranium oxides and carbides into UN. Uranium oxide-carbon microspheres were heated in a microbalance with an attached mass spectrometer to determine details of calcining and carbothermic conversion in argon, nitrogen, and vacuum. A model was derived from experiments on the vacuum conversion to uranium oxide-carbide kernels. UN-containing kernels were fabricated using this vacuum conversion as part of the overall process. Carbonitride kernels of ∼89% of theoretical density were produced along with several observations concerning the different stages of the process.

  20. Discrete bivariate population balance modelling of heteroaggregation processes.

    PubMed

    Rollié, Sascha; Briesen, Heiko; Sundmacher, Kai

    2009-08-15

    Heteroaggregation in binary particle mixtures was simulated with a discrete population balance model in terms of two internal coordinates describing the particle properties. The considered particle species are of different size and zeta-potential. Property space is reduced with a semi-heuristic approach to enable an efficient solution. Aggregation rates are based on deterministic models for Brownian motion and stability, under consideration of DLVO interaction potentials. A charge-balance kernel is presented, relating the electrostatic surface potential to the property space by a simple charge balance. Parameter sensitivity with respect to the fractal dimension, aggregate size, hydrodynamic correction, ionic strength and absolute particle concentration was assessed. Results were compared to simulations with the literature kernel based on geometric coverage effects for clusters with heterogeneous surface properties. In both cases electrostatic phenomena, which dominate the aggregation process, show identical trends: impeded cluster-cluster aggregation at low particle mixing ratio (1:1), restabilisation at high mixing ratios (100:1) and formation of complex clusters for intermediate ratios (10:1). The particle mixing ratio controls the surface coverage extent of the larger particle species. Simulation results are compared to experimental flow cytometric data and show very satisfactory agreement.

  1. Smoothed-particle-hydrodynamics modeling of dissipation mechanisms in gravity waves.

    PubMed

    Colagrossi, Andrea; Souto-Iglesias, Antonio; Antuono, Matteo; Marrone, Salvatore

    2013-02-01

    The smoothed-particle-hydrodynamics (SPH) method has been used to study the evolution of free-surface Newtonian viscous flows specifically focusing on dissipation mechanisms in gravity waves. The numerical results have been compared with an analytical solution of the linearized Navier-Stokes equations for Reynolds numbers in the range 50-5000. We found that a correct choice of the number of neighboring particles is of fundamental importance in order to obtain convergence towards the analytical solution. This number has to increase with higher Reynolds numbers in order to prevent the onset of spurious vorticity inside the bulk of the fluid, leading to an unphysical overdamping of the wave amplitude. This generation of spurious vorticity strongly depends on the specific kernel function used in the SPH model.

  2. A deep convolutional neural network approach to single-particle recognition in cryo-electron microscopy.

    PubMed

    Zhu, Yanan; Ouyang, Qi; Mao, Youdong

    2017-07-21

    Single-particle cryo-electron microscopy (cryo-EM) has become a mainstream tool for the structural determination of biological macromolecular complexes. However, high-resolution cryo-EM reconstruction often requires hundreds of thousands of single-particle images. Particle extraction from experimental micrographs thus can be laborious and presents a major practical bottleneck in cryo-EM structural determination. Existing computational methods for particle picking often use low-resolution templates for particle matching, making them susceptible to reference-dependent bias. It is critical to develop a highly efficient template-free method for the automatic recognition of particle images from cryo-EM micrographs. We developed a deep learning-based algorithmic framework, DeepEM, for single-particle recognition from noisy cryo-EM micrographs, enabling automated particle picking, selection and verification in an integrated fashion. The kernel of DeepEM is built upon a convolutional neural network (CNN) composed of eight layers, which can be recursively trained to be highly "knowledgeable". Our approach exhibits an improved performance and accuracy when tested on the standard KLH dataset. Application of DeepEM to several challenging experimental cryo-EM datasets demonstrated its ability to avoid the selection of un-wanted particles and non-particles even when true particles contain fewer features. The DeepEM methodology, derived from a deep CNN, allows automated particle extraction from raw cryo-EM micrographs in the absence of a template. It demonstrates an improved performance, objectivity and accuracy. Application of this novel method is expected to free the labor involved in single-particle verification, significantly improving the efficiency of cryo-EM data processing.

  3. Evaluation of the accuracy of mono-energetic electron and beta-emitting isotope dose-point kernels using particle and heavy ion transport code system: PHITS.

    PubMed

    Shiiba, Takuro; Kuga, Naoya; Kuroiwa, Yasuyoshi; Sato, Tatsuhiko

    2017-10-01

    We assessed the accuracy of mono-energetic electron and beta-emitting isotope dose-point kernels (DPKs) calculated using the particle and heavy ion transport code system (PHITS) for patient-specific dosimetry in targeted radionuclide treatment (TRT) and compared our data with published data. All mono-energetic and beta-emitting isotope DPKs calculated using PHITS, both in water and compact bone, were in good agreement with those in literature using other MC codes. PHITS provided reliable mono-energetic electron and beta-emitting isotope scaled DPKs for patient-specific dosimetry. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Metabolic network prediction through pairwise rational kernels.

    PubMed

    Roche-Lima, Abiel; Domaratzki, Michael; Fristensky, Brian

    2014-09-26

    Metabolic networks are represented by the set of metabolic pathways. Metabolic pathways are a series of biochemical reactions, in which the product (output) from one reaction serves as the substrate (input) to another reaction. Many pathways remain incompletely characterized. One of the major challenges of computational biology is to obtain better models of metabolic pathways. Existing models are dependent on the annotation of the genes. This propagates error accumulation when the pathways are predicted by incorrectly annotated genes. Pairwise classification methods are supervised learning methods used to classify new pair of entities. Some of these classification methods, e.g., Pairwise Support Vector Machines (SVMs), use pairwise kernels. Pairwise kernels describe similarity measures between two pairs of entities. Using pairwise kernels to handle sequence data requires long processing times and large storage. Rational kernels are kernels based on weighted finite-state transducers that represent similarity measures between sequences or automata. They have been effectively used in problems that handle large amount of sequence information such as protein essentiality, natural language processing and machine translations. We create a new family of pairwise kernels using weighted finite-state transducers (called Pairwise Rational Kernel (PRK)) to predict metabolic pathways from a variety of biological data. PRKs take advantage of the simpler representations and faster algorithms of transducers. Because raw sequence data can be used, the predictor model avoids the errors introduced by incorrect gene annotations. We then developed several experiments with PRKs and Pairwise SVM to validate our methods using the metabolic network of Saccharomyces cerevisiae. As a result, when PRKs are used, our method executes faster in comparison with other pairwise kernels. Also, when we use PRKs combined with other simple kernels that include evolutionary information, the accuracy values have been improved, while maintaining lower construction and execution times. The power of using kernels is that almost any sort of data can be represented using kernels. Therefore, completely disparate types of data can be combined to add power to kernel-based machine learning methods. When we compared our proposal using PRKs with other similar kernel, the execution times were decreased, with no compromise of accuracy. We also proved that by combining PRKs with other kernels that include evolutionary information, the accuracy can also also be improved. As our proposal can use any type of sequence data, genes do not need to be properly annotated, avoiding accumulation errors because of incorrect previous annotations.

  5. Optimized Kernel Entropy Components.

    PubMed

    Izquierdo-Verdiguier, Emma; Laparra, Valero; Jenssen, Robert; Gomez-Chova, Luis; Camps-Valls, Gustau

    2017-06-01

    This brief addresses two main issues of the standard kernel entropy component analysis (KECA) algorithm: the optimization of the kernel decomposition and the optimization of the Gaussian kernel parameter. KECA roughly reduces to a sorting of the importance of kernel eigenvectors by entropy instead of variance, as in the kernel principal components analysis. In this brief, we propose an extension of the KECA method, named optimized KECA (OKECA), that directly extracts the optimal features retaining most of the data entropy by means of compacting the information in very few features (often in just one or two). The proposed method produces features which have higher expressive power. In particular, it is based on the independent component analysis framework, and introduces an extra rotation to the eigen decomposition, which is optimized via gradient-ascent search. This maximum entropy preservation suggests that OKECA features are more efficient than KECA features for density estimation. In addition, a critical issue in both the methods is the selection of the kernel parameter, since it critically affects the resulting performance. Here, we analyze the most common kernel length-scale selection criteria. The results of both the methods are illustrated in different synthetic and real problems. Results show that OKECA returns projections with more expressive power than KECA, the most successful rule for estimating the kernel parameter is based on maximum likelihood, and OKECA is more robust to the selection of the length-scale parameter in kernel density estimation.

  6. Dynamic PET Image reconstruction for parametric imaging using the HYPR kernel method

    NASA Astrophysics Data System (ADS)

    Spencer, Benjamin; Qi, Jinyi; Badawi, Ramsey D.; Wang, Guobao

    2017-03-01

    Dynamic PET image reconstruction is a challenging problem because of the ill-conditioned nature of PET and the lowcounting statistics resulted from short time-frames in dynamic imaging. The kernel method for image reconstruction has been developed to improve image reconstruction of low-count PET data by incorporating prior information derived from high-count composite data. In contrast to most of the existing regularization-based methods, the kernel method embeds image prior information in the forward projection model and does not require an explicit regularization term in the reconstruction formula. Inspired by the existing highly constrained back-projection (HYPR) algorithm for dynamic PET image denoising, we propose in this work a new type of kernel that is simpler to implement and further improves the kernel-based dynamic PET image reconstruction. Our evaluation study using a physical phantom scan with synthetic FDG tracer kinetics has demonstrated that the new HYPR kernel-based reconstruction can achieve a better region-of-interest (ROI) bias versus standard deviation trade-off for dynamic PET parametric imaging than the post-reconstruction HYPR denoising method and the previously used nonlocal-means kernel.

  7. Comparison of Kernel Equating and Item Response Theory Equating Methods

    ERIC Educational Resources Information Center

    Meng, Yu

    2012-01-01

    The kernel method of test equating is a unified approach to test equating with some advantages over traditional equating methods. Therefore, it is important to evaluate in a comprehensive way the usefulness and appropriateness of the Kernel equating (KE) method, as well as its advantages and disadvantages compared with several popular item…

  8. Progress in understanding fission-product behaviour in coated uranium-dioxide fuel particles

    NASA Astrophysics Data System (ADS)

    Barrachin, M.; Dubourg, R.; Kissane, M. P.; Ozrin, V.

    2009-03-01

    Supported by results of calculations performed with two analytical tools (MFPR, which takes account of physical and chemical mechanisms in calculating the chemical forms and physical locations of fission products in UO2, and MEPHISTA, a thermodynamic database), this paper presents an investigation of some important aspects of the fuel microstructure and chemical evolutions of irradiated TRISO particles. The following main conclusions can be identified with respect to irradiated TRISO fuel: first, the relatively low oxygen potential within the fuel particles with respect to PWR fuel leads to chemical speciation that is not typical of PWR fuels, e.g., the relatively volatile behaviour of barium; secondly, the safety-critical fission-product caesium is released from the urania kernel but the buffer and pyrolytic-carbon coatings could form an important chemical barrier to further migration (i.e., formation of carbides). Finally, significant releases of fission gases from the urania kernel are expected even in nominal conditions.

  9. Fusion PIC code performance analysis on the Cori KNL system

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Koskela, Tuomas S.; Deslippe, Jack; Friesen, Brian

    We study the attainable performance of Particle-In-Cell codes on the Cori KNL system by analyzing a miniature particle push application based on the fusion PIC code XGC1. We start from the most basic building blocks of a PIC code and build up the complexity to identify the kernels that cost the most in performance and focus optimization efforts there. Particle push kernels operate at high AI and are not likely to be memory bandwidth or even cache bandwidth bound on KNL. Therefore, we see only minor benefits from the high bandwidth memory available on KNL, and achieving good vectorization ismore » shown to be the most beneficial optimization path with theoretical yield of up to 8x speedup on KNL. In practice we are able to obtain up to a 4x gain from vectorization due to limitations set by the data layout and memory latency.« less

  10. Gaussian mass optimization for kernel PCA parameters

    NASA Astrophysics Data System (ADS)

    Liu, Yong; Wang, Zulin

    2011-10-01

    This paper proposes a novel kernel parameter optimization method based on Gaussian mass, which aims to overcome the current brute force parameter optimization method in a heuristic way. Generally speaking, the choice of kernel parameter should be tightly related to the target objects while the variance between the samples, the most commonly used kernel parameter, doesn't possess much features of the target, which gives birth to Gaussian mass. Gaussian mass defined in this paper has the property of the invariance of rotation and translation and is capable of depicting the edge, topology and shape information. Simulation results show that Gaussian mass leads a promising heuristic optimization boost up for kernel method. In MNIST handwriting database, the recognition rate improves by 1.6% compared with common kernel method without Gaussian mass optimization. Several promising other directions which Gaussian mass might help are also proposed at the end of the paper.

  11. [Application of optimized parameters SVM based on photoacoustic spectroscopy method in fault diagnosis of power transformer].

    PubMed

    Zhang, Yu-xin; Cheng, Zhi-feng; Xu, Zheng-ping; Bai, Jing

    2015-01-01

    In order to solve the problems such as complex operation, consumption for the carrier gas and long test period in traditional power transformer fault diagnosis approach based on dissolved gas analysis (DGA), this paper proposes a new method which is detecting 5 types of characteristic gas content in transformer oil such as CH4, C2H2, C2H4, C2H6 and H2 based on photoacoustic Spectroscopy and C2H2/C2H4, CH4/H2, C2H4/C2H6 three-ratios data are calculated. The support vector machine model was constructed using cross validation method under five support vector machine functions and four kernel functions, heuristic algorithms were used in parameter optimization for penalty factor c and g, which to establish the best SVM model for the highest fault diagnosis accuracy and the fast computing speed. Particles swarm optimization and genetic algorithm two types of heuristic algorithms were comparative studied in this paper for accuracy and speed in optimization. The simulation result shows that SVM model composed of C-SVC, RBF kernel functions and genetic algorithm obtain 97. 5% accuracy in test sample set and 98. 333 3% accuracy in train sample set, and genetic algorithm was about two times faster than particles swarm optimization in computing speed. The methods described in this paper has many advantages such as simple operation, non-contact measurement, no consumption for the carrier gas, long test period, high stability and sensitivity, the result shows that the methods described in this paper can instead of the traditional transformer fault diagnosis by gas chromatography and meets the actual project needs in transformer fault diagnosis.

  12. Unified heat kernel regression for diffusion, kernel smoothing and wavelets on manifolds and its application to mandible growth modeling in CT images.

    PubMed

    Chung, Moo K; Qiu, Anqi; Seo, Seongho; Vorperian, Houri K

    2015-05-01

    We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel method is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. The numerical implementation is validated on a unit sphere using spherical harmonics. As an illustration, the method is applied to characterize the localized growth pattern of mandible surfaces obtained in CT images between ages 0 and 20 by regressing the length of displacement vectors with respect to a surface template. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Cepstrum based feature extraction method for fungus detection

    NASA Astrophysics Data System (ADS)

    Yorulmaz, Onur; Pearson, Tom C.; Çetin, A. Enis

    2011-06-01

    In this paper, a method for detection of popcorn kernels infected by a fungus is developed using image processing. The method is based on two dimensional (2D) mel and Mellin-cepstrum computation from popcorn kernel images. Cepstral features that were extracted from popcorn images are classified using Support Vector Machines (SVM). Experimental results show that high recognition rates of up to 93.93% can be achieved for both damaged and healthy popcorn kernels using 2D mel-cepstrum. The success rate for healthy popcorn kernels was found to be 97.41% and the recognition rate for damaged kernels was found to be 89.43%.

  14. Online learning control using adaptive critic designs with sparse kernel machines.

    PubMed

    Xu, Xin; Hou, Zhongsheng; Lian, Chuanqiang; He, Haibo

    2013-05-01

    In the past decade, adaptive critic designs (ACDs), including heuristic dynamic programming (HDP), dual heuristic programming (DHP), and their action-dependent ones, have been widely studied to realize online learning control of dynamical systems. However, because neural networks with manually designed features are commonly used to deal with continuous state and action spaces, the generalization capability and learning efficiency of previous ACDs still need to be improved. In this paper, a novel framework of ACDs with sparse kernel machines is presented by integrating kernel methods into the critic of ACDs. To improve the generalization capability as well as the computational efficiency of kernel machines, a sparsification method based on the approximately linear dependence analysis is used. Using the sparse kernel machines, two kernel-based ACD algorithms, that is, kernel HDP (KHDP) and kernel DHP (KDHP), are proposed and their performance is analyzed both theoretically and empirically. Because of the representation learning and generalization capability of sparse kernel machines, KHDP and KDHP can obtain much better performance than previous HDP and DHP with manually designed neural networks. Simulation and experimental results of two nonlinear control problems, that is, a continuous-action inverted pendulum problem and a ball and plate control problem, demonstrate the effectiveness of the proposed kernel ACD methods.

  15. An introduction to kernel-based learning algorithms.

    PubMed

    Müller, K R; Mika, S; Rätsch, G; Tsuda, K; Schölkopf, B

    2001-01-01

    This paper provides an introduction to support vector machines, kernel Fisher discriminant analysis, and kernel principal component analysis, as examples for successful kernel-based learning methods. We first give a short background about Vapnik-Chervonenkis theory and kernel feature spaces and then proceed to kernel based learning in supervised and unsupervised scenarios including practical and algorithmic considerations. We illustrate the usefulness of kernel algorithms by discussing applications such as optical character recognition and DNA analysis.

  16. Protein Subcellular Localization with Gaussian Kernel Discriminant Analysis and Its Kernel Parameter Selection.

    PubMed

    Wang, Shunfang; Nie, Bing; Yue, Kun; Fei, Yu; Li, Wenjia; Xu, Dongshu

    2017-12-15

    Kernel discriminant analysis (KDA) is a dimension reduction and classification algorithm based on nonlinear kernel trick, which can be novelly used to treat high-dimensional and complex biological data before undergoing classification processes such as protein subcellular localization. Kernel parameters make a great impact on the performance of the KDA model. Specifically, for KDA with the popular Gaussian kernel, to select the scale parameter is still a challenging problem. Thus, this paper introduces the KDA method and proposes a new method for Gaussian kernel parameter selection depending on the fact that the differences between reconstruction errors of edge normal samples and those of interior normal samples should be maximized for certain suitable kernel parameters. Experiments with various standard data sets of protein subcellular localization show that the overall accuracy of protein classification prediction with KDA is much higher than that without KDA. Meanwhile, the kernel parameter of KDA has a great impact on the efficiency, and the proposed method can produce an optimum parameter, which makes the new algorithm not only perform as effectively as the traditional ones, but also reduce the computational time and thus improve efficiency.

  17. Attenuation of the NMR signal in a field gradient due to stochastic dynamics with memory

    NASA Astrophysics Data System (ADS)

    Lisý, Vladimír; Tóthová, Jana

    2017-03-01

    The attenuation function S(t) for an ensemble of spins in a magnetic-field gradient is calculated by accumulation of the phase shifts in the rotating frame resulting from the displacements of spin-bearing particles. The found S(t), expressed through the particle mean square displacement, is applicable for any kind of stationary stochastic motion of spins, including their non-markovian dynamics with memory. The known expressions valid for normal and anomalous diffusion are obtained as special cases in the long time approximation. The method is also applicable to the NMR pulse sequences based on the refocusing principle. This is demonstrated by describing the Hahn spin echo experiment. The attenuation of the NMR signal is also evaluated providing that the random motion of particle is modeled by the generalized Langevin equation with the memory kernel exponentially decaying in time. The models considered in our paper assume massive particles driven by much smaller particles.

  18. LoCoH: Non-parameteric kernel methods for constructing home ranges and utilization distributions

    USGS Publications Warehouse

    Getz, Wayne M.; Fortmann-Roe, Scott; Cross, Paul C.; Lyons, Andrew J.; Ryan, Sadie J.; Wilmers, Christopher C.

    2007-01-01

    Parametric kernel methods currently dominate the literature regarding the construction of animal home ranges (HRs) and utilization distributions (UDs). These methods frequently fail to capture the kinds of hard boundaries common to many natural systems. Recently a local convex hull (LoCoH) nonparametric kernel method, which generalizes the minimum convex polygon (MCP) method, was shown to be more appropriate than parametric kernel methods for constructing HRs and UDs, because of its ability to identify hard boundaries (e.g., rivers, cliff edges) and convergence to the true distribution as sample size increases. Here we extend the LoCoH in two ways: ‘‘fixed sphere-of-influence,’’ or r -LoCoH (kernels constructed from all points within a fixed radius r of each reference point), and an ‘‘adaptive sphere-of-influence,’’ or a -LoCoH (kernels constructed from all points within a radius a such that the distances of all points within the radius to the reference point sum to a value less than or equal to a ), and compare them to the original ‘‘fixed-number-of-points,’’ or k -LoCoH (all kernels constructed from k -1 nearest neighbors of root points). We also compare these nonparametric LoCoH to parametric kernel methods using manufactured data and data collected from GPS collars on African buffalo in the Kruger National Park, South Africa. Our results demonstrate that LoCoH methods are superior to parametric kernel methods in estimating areas used by animals, excluding unused areas (holes) and, generally, in constructing UDs and HRs arising from the movement of animals influenced by hard boundaries and irregular structures (e.g., rocky outcrops). We also demonstrate that a -LoCoH is generally superior to k - and r -LoCoH (with software for all three methods available at http://locoh.cnr.berkeley.edu).

  19. Development of a single kernel analysis method for detection of 2-acetyl-1-pyrroline in aromatic rice germplasm

    USDA-ARS?s Scientific Manuscript database

    Solid-phase microextraction (SPME) in conjunction with GC/MS was used to distinguish non-aromatic rice (Oryza sativa, L.) kernels from aromatic rice kernels. In this method, single kernels along with 10 µl of 0.1 ng 2,4,6-Trimethylpyridine (TMP) were placed in sealed vials and heated to 80oC for 18...

  20. Parametric output-only identification of time-varying structures using a kernel recursive extended least squares TARMA approach

    NASA Astrophysics Data System (ADS)

    Ma, Zhi-Sai; Liu, Li; Zhou, Si-Da; Yu, Lei; Naets, Frank; Heylen, Ward; Desmet, Wim

    2018-01-01

    The problem of parametric output-only identification of time-varying structures in a recursive manner is considered. A kernelized time-dependent autoregressive moving average (TARMA) model is proposed by expanding the time-varying model parameters onto the basis set of kernel functions in a reproducing kernel Hilbert space. An exponentially weighted kernel recursive extended least squares TARMA identification scheme is proposed, and a sliding-window technique is subsequently applied to fix the computational complexity for each consecutive update, allowing the method to operate online in time-varying environments. The proposed sliding-window exponentially weighted kernel recursive extended least squares TARMA method is employed for the identification of a laboratory time-varying structure consisting of a simply supported beam and a moving mass sliding on it. The proposed method is comparatively assessed against an existing recursive pseudo-linear regression TARMA method via Monte Carlo experiments and shown to be capable of accurately tracking the time-varying dynamics. Furthermore, the comparisons demonstrate the superior achievable accuracy, lower computational complexity and enhanced online identification capability of the proposed kernel recursive extended least squares TARMA approach.

  1. A Comparative Study of Pairwise Learning Methods Based on Kernel Ridge Regression.

    PubMed

    Stock, Michiel; Pahikkala, Tapio; Airola, Antti; De Baets, Bernard; Waegeman, Willem

    2018-06-12

    Many machine learning problems can be formulated as predicting labels for a pair of objects. Problems of that kind are often referred to as pairwise learning, dyadic prediction, or network inference problems. During the past decade, kernel methods have played a dominant role in pairwise learning. They still obtain a state-of-the-art predictive performance, but a theoretical analysis of their behavior has been underexplored in the machine learning literature. In this work we review and unify kernel-based algorithms that are commonly used in different pairwise learning settings, ranging from matrix filtering to zero-shot learning. To this end, we focus on closed-form efficient instantiations of Kronecker kernel ridge regression. We show that independent task kernel ridge regression, two-step kernel ridge regression, and a linear matrix filter arise naturally as a special case of Kronecker kernel ridge regression, implying that all these methods implicitly minimize a squared loss. In addition, we analyze universality, consistency, and spectral filtering properties. Our theoretical results provide valuable insights into assessing the advantages and limitations of existing pairwise learning methods.

  2. Novel characterization method of impedance cardiography signals using time-frequency distributions.

    PubMed

    Escrivá Muñoz, Jesús; Pan, Y; Ge, S; Jensen, E W; Vallverdú, M

    2018-03-16

    The purpose of this document is to describe a methodology to select the most adequate time-frequency distribution (TFD) kernel for the characterization of impedance cardiography signals (ICG). The predominant ICG beat was extracted from a patient and was synthetized using time-frequency variant Fourier approximations. These synthetized signals were used to optimize several TFD kernels according to a performance maximization. The optimized kernels were tested for noise resistance on a clinical database. The resulting optimized TFD kernels are presented with their performance calculated using newly proposed methods. The procedure explained in this work showcases a new method to select an appropriate kernel for ICG signals and compares the performance of different time-frequency kernels found in the literature for the case of ICG signals. We conclude that, for ICG signals, the performance (P) of the spectrogram with either Hanning or Hamming windows (P = 0.780) and the extended modified beta distribution (P = 0.765) provided similar results, higher than the rest of analyzed kernels. Graphical abstract Flowchart for the optimization of time-frequency distribution kernels for impedance cardiography signals.

  3. Effective Alternating Direction Optimization Methods for Sparsity-Constrained Blind Image Deblurring.

    PubMed

    Xiong, Naixue; Liu, Ryan Wen; Liang, Maohan; Wu, Di; Liu, Zhao; Wu, Huisi

    2017-01-18

    Single-image blind deblurring for imaging sensors in the Internet of Things (IoT) is a challenging ill-conditioned inverse problem, which requires regularization techniques to stabilize the image restoration process. The purpose is to recover the underlying blur kernel and latent sharp image from only one blurred image. Under many degraded imaging conditions, the blur kernel could be considered not only spatially sparse, but also piecewise smooth with the support of a continuous curve. By taking advantage of the hybrid sparse properties of the blur kernel, a hybrid regularization method is proposed in this paper to robustly and accurately estimate the blur kernel. The effectiveness of the proposed blur kernel estimation method is enhanced by incorporating both the L 1 -norm of kernel intensity and the squared L 2 -norm of the intensity derivative. Once the accurate estimation of the blur kernel is obtained, the original blind deblurring can be simplified to the direct deconvolution of blurred images. To guarantee robust non-blind deconvolution, a variational image restoration model is presented based on the L 1 -norm data-fidelity term and the total generalized variation (TGV) regularizer of second-order. All non-smooth optimization problems related to blur kernel estimation and non-blind deconvolution are effectively handled by using the alternating direction method of multipliers (ADMM)-based numerical methods. Comprehensive experiments on both synthetic and realistic datasets have been implemented to compare the proposed method with several state-of-the-art methods. The experimental comparisons have illustrated the satisfactory imaging performance of the proposed method in terms of quantitative and qualitative evaluations.

  4. Fast Gaussian kernel learning for classification tasks based on specially structured global optimization.

    PubMed

    Zhong, Shangping; Chen, Tianshun; He, Fengying; Niu, Yuzhen

    2014-09-01

    For a practical pattern classification task solved by kernel methods, the computing time is mainly spent on kernel learning (or training). However, the current kernel learning approaches are based on local optimization techniques, and hard to have good time performances, especially for large datasets. Thus the existing algorithms cannot be easily extended to large-scale tasks. In this paper, we present a fast Gaussian kernel learning method by solving a specially structured global optimization (SSGO) problem. We optimize the Gaussian kernel function by using the formulated kernel target alignment criterion, which is a difference of increasing (d.i.) functions. Through using a power-transformation based convexification method, the objective criterion can be represented as a difference of convex (d.c.) functions with a fixed power-transformation parameter. And the objective programming problem can then be converted to a SSGO problem: globally minimizing a concave function over a convex set. The SSGO problem is classical and has good solvability. Thus, to find the global optimal solution efficiently, we can adopt the improved Hoffman's outer approximation method, which need not repeat the searching procedure with different starting points to locate the best local minimum. Also, the proposed method can be proven to converge to the global solution for any classification task. We evaluate the proposed method on twenty benchmark datasets, and compare it with four other Gaussian kernel learning methods. Experimental results show that the proposed method stably achieves both good time-efficiency performance and good classification performance. Copyright © 2014 Elsevier Ltd. All rights reserved.

  5. Finite-frequency sensitivity kernels for global seismic wave propagation based upon adjoint methods

    NASA Astrophysics Data System (ADS)

    Liu, Qinya; Tromp, Jeroen

    2008-07-01

    We determine adjoint equations and Fréchet kernels for global seismic wave propagation based upon a Lagrange multiplier method. We start from the equations of motion for a rotating, self-gravitating earth model initially in hydrostatic equilibrium, and derive the corresponding adjoint equations that involve motions on an earth model that rotates in the opposite direction. Variations in the misfit function χ then may be expressed as , where δlnm = δm/m denotes relative model perturbations in the volume V, δlnd denotes relative topographic variations on solid-solid or fluid-solid boundaries Σ, and ∇Σδlnd denotes surface gradients in relative topographic variations on fluid-solid boundaries ΣFS. The 3-D Fréchet kernel Km determines the sensitivity to model perturbations δlnm, and the 2-D kernels Kd and Kd determine the sensitivity to topographic variations δlnd. We demonstrate also how anelasticity may be incorporated within the framework of adjoint methods. Finite-frequency sensitivity kernels are calculated by simultaneously computing the adjoint wavefield forward in time and reconstructing the regular wavefield backward in time. Both the forward and adjoint simulations are based upon a spectral-element method. We apply the adjoint technique to generate finite-frequency traveltime kernels for global seismic phases (P, Pdiff, PKP, S, SKS, depth phases, surface-reflected phases, surface waves, etc.) in both 1-D and 3-D earth models. For 1-D models these adjoint-generated kernels generally agree well with results obtained from ray-based methods. However, adjoint methods do not have the same theoretical limitations as ray-based methods, and can produce sensitivity kernels for any given phase in any 3-D earth model. The Fréchet kernels presented in this paper illustrate the sensitivity of seismic observations to structural parameters and topography on internal discontinuities. These kernels form the basis of future 3-D tomographic inversions.

  6. Credit scoring analysis using kernel discriminant

    NASA Astrophysics Data System (ADS)

    Widiharih, T.; Mukid, M. A.; Mustafid

    2018-05-01

    Credit scoring model is an important tool for reducing the risk of wrong decisions when granting credit facilities to applicants. This paper investigate the performance of kernel discriminant model in assessing customer credit risk. Kernel discriminant analysis is a non- parametric method which means that it does not require any assumptions about the probability distribution of the input. The main ingredient is a kernel that allows an efficient computation of Fisher discriminant. We use several kernel such as normal, epanechnikov, biweight, and triweight. The models accuracy was compared each other using data from a financial institution in Indonesia. The results show that kernel discriminant can be an alternative method that can be used to determine who is eligible for a credit loan. In the data we use, it shows that a normal kernel is relevant to be selected for credit scoring using kernel discriminant model. Sensitivity and specificity reach to 0.5556 and 0.5488 respectively.

  7. Genomic similarity and kernel methods I: advancements by building on mathematical and statistical foundations.

    PubMed

    Schaid, Daniel J

    2010-01-01

    Measures of genomic similarity are the basis of many statistical analytic methods. We review the mathematical and statistical basis of similarity methods, particularly based on kernel methods. A kernel function converts information for a pair of subjects to a quantitative value representing either similarity (larger values meaning more similar) or distance (smaller values meaning more similar), with the requirement that it must create a positive semidefinite matrix when applied to all pairs of subjects. This review emphasizes the wide range of statistical methods and software that can be used when similarity is based on kernel methods, such as nonparametric regression, linear mixed models and generalized linear mixed models, hierarchical models, score statistics, and support vector machines. The mathematical rigor for these methods is summarized, as is the mathematical framework for making kernels. This review provides a framework to move from intuitive and heuristic approaches to define genomic similarities to more rigorous methods that can take advantage of powerful statistical modeling and existing software. A companion paper reviews novel approaches to creating kernels that might be useful for genomic analyses, providing insights with examples [1]. Copyright © 2010 S. Karger AG, Basel.

  8. Differential evolution algorithm-based kernel parameter selection for Fukunaga-Koontz Transform subspaces construction

    NASA Astrophysics Data System (ADS)

    Binol, Hamidullah; Bal, Abdullah; Cukur, Huseyin

    2015-10-01

    The performance of the kernel based techniques depends on the selection of kernel parameters. That's why; suitable parameter selection is an important problem for many kernel based techniques. This article presents a novel technique to learn the kernel parameters in kernel Fukunaga-Koontz Transform based (KFKT) classifier. The proposed approach determines the appropriate values of kernel parameters through optimizing an objective function constructed based on discrimination ability of KFKT. For this purpose we have utilized differential evolution algorithm (DEA). The new technique overcomes some disadvantages such as high time consumption existing in the traditional cross-validation method, and it can be utilized in any type of data. The experiments for target detection applications on the hyperspectral images verify the effectiveness of the proposed method.

  9. Novel near-infrared sampling apparatus for single kernel analysis of oil content in maize.

    PubMed

    Janni, James; Weinstock, B André; Hagen, Lisa; Wright, Steve

    2008-04-01

    A method of rapid, nondestructive chemical and physical analysis of individual maize (Zea mays L.) kernels is needed for the development of high value food, feed, and fuel traits. Near-infrared (NIR) spectroscopy offers a robust nondestructive method of trait determination. However, traditional NIR bulk sampling techniques cannot be applied successfully to individual kernels. Obtaining optimized single kernel NIR spectra for applied chemometric predictive analysis requires a novel sampling technique that can account for the heterogeneous forms, morphologies, and opacities exhibited in individual maize kernels. In this study such a novel technique is described and compared to less effective means of single kernel NIR analysis. Results of the application of a partial least squares (PLS) derived model for predictive determination of percent oil content per individual kernel are shown.

  10. SU-E-T-236: Deconvolution of the Total Nuclear Cross-Sections of Therapeutic Protons and the Characterization of the Reaction Channels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ulmer, W.

    2015-06-15

    Purpose: The knowledge of the total nuclear cross-section Qtot(E) of therapeutic protons Qtot(E) provides important information in advanced radiotherapy with protons, such as the decrease of fluence of primary protons, the release of secondary particles (neutrons, protons, deuterons, etc.), and the production of nuclear fragments (heavy recoils), which usually undergo β+/− decay by emission of γ-quanta. Therefore determination of Qtot(E) is an important tool for sophisticated calculation algorithms of dose distributions. This cross-section can be determined by a linear combination of shifted Gaussian kernels and an error-function. The resonances resulting from deconvolutions in the energy space can be associated withmore » typical nuclear reactions. Methods: The described method of the determination of Qtot(E) results from an extension of the Breit-Wigner formula and a rather extended version of the nuclear shell theory to include nuclear correlation effects, clusters and highly excited/virtually excited nuclear states. The elastic energy transfer of protons to nucleons (the quantum numbers of the target nucleus remain constant) can be removed by the mentioned deconvolution. Results: The deconvolution of the term related to the error-function of the type cerf*er((E-ETh)/σerf] is the main contribution to obtain various nuclear reactions as resonances, since the elastic part of energy transfer is removed. The nuclear products of various elements of therapeutic interest like oxygen, calcium are classified and calculated. Conclusions: The release of neutrons is completely underrated, in particular, for low-energy protons. The transport of seconary particles, e.g. cluster formation by deuterium, tritium and α-particles, show an essential contribution to secondary particles, and the heavy recoils, which create γ-quanta by decay reactions, lead to broadening of the scatter profiles. These contributions cannot be accounted for by one single Gaussian kernel for the description of lateral scatter.« less

  11. Hadamard Kernel SVM with applications for breast cancer outcome predictions.

    PubMed

    Jiang, Hao; Ching, Wai-Ki; Cheung, Wai-Shun; Hou, Wenpin; Yin, Hong

    2017-12-21

    Breast cancer is one of the leading causes of deaths for women. It is of great necessity to develop effective methods for breast cancer detection and diagnosis. Recent studies have focused on gene-based signatures for outcome predictions. Kernel SVM for its discriminative power in dealing with small sample pattern recognition problems has attracted a lot attention. But how to select or construct an appropriate kernel for a specified problem still needs further investigation. Here we propose a novel kernel (Hadamard Kernel) in conjunction with Support Vector Machines (SVMs) to address the problem of breast cancer outcome prediction using gene expression data. Hadamard Kernel outperform the classical kernels and correlation kernel in terms of Area under the ROC Curve (AUC) values where a number of real-world data sets are adopted to test the performance of different methods. Hadamard Kernel SVM is effective for breast cancer predictions, either in terms of prognosis or diagnosis. It may benefit patients by guiding therapeutic options. Apart from that, it would be a valuable addition to the current SVM kernel families. We hope it will contribute to the wider biology and related communities.

  12. Local coding based matching kernel method for image classification.

    PubMed

    Song, Yan; McLoughlin, Ian Vince; Dai, Li-Rong

    2014-01-01

    This paper mainly focuses on how to effectively and efficiently measure visual similarity for local feature based representation. Among existing methods, metrics based on Bag of Visual Word (BoV) techniques are efficient and conceptually simple, at the expense of effectiveness. By contrast, kernel based metrics are more effective, but at the cost of greater computational complexity and increased storage requirements. We show that a unified visual matching framework can be developed to encompass both BoV and kernel based metrics, in which local kernel plays an important role between feature pairs or between features and their reconstruction. Generally, local kernels are defined using Euclidean distance or its derivatives, based either explicitly or implicitly on an assumption of Gaussian noise. However, local features such as SIFT and HoG often follow a heavy-tailed distribution which tends to undermine the motivation behind Euclidean metrics. Motivated by recent advances in feature coding techniques, a novel efficient local coding based matching kernel (LCMK) method is proposed. This exploits the manifold structures in Hilbert space derived from local kernels. The proposed method combines advantages of both BoV and kernel based metrics, and achieves a linear computational complexity. This enables efficient and scalable visual matching to be performed on large scale image sets. To evaluate the effectiveness of the proposed LCMK method, we conduct extensive experiments with widely used benchmark datasets, including 15-Scenes, Caltech101/256, PASCAL VOC 2007 and 2011 datasets. Experimental results confirm the effectiveness of the relatively efficient LCMK method.

  13. Integrating semantic information into multiple kernels for protein-protein interaction extraction from biomedical literatures.

    PubMed

    Li, Lishuang; Zhang, Panpan; Zheng, Tianfu; Zhang, Hongying; Jiang, Zhenchao; Huang, Degen

    2014-01-01

    Protein-Protein Interaction (PPI) extraction is an important task in the biomedical information extraction. Presently, many machine learning methods for PPI extraction have achieved promising results. However, the performance is still not satisfactory. One reason is that the semantic resources were basically ignored. In this paper, we propose a multiple-kernel learning-based approach to extract PPIs, combining the feature-based kernel, tree kernel and semantic kernel. Particularly, we extend the shortest path-enclosed tree kernel (SPT) by a dynamic extended strategy to retrieve the richer syntactic information. Our semantic kernel calculates the protein-protein pair similarity and the context similarity based on two semantic resources: WordNet and Medical Subject Heading (MeSH). We evaluate our method with Support Vector Machine (SVM) and achieve an F-score of 69.40% and an AUC of 92.00%, which show that our method outperforms most of the state-of-the-art systems by integrating semantic information.

  14. Improvements to the kernel function method of steady, subsonic lifting surface theory

    NASA Technical Reports Server (NTRS)

    Medan, R. T.

    1974-01-01

    The application of a kernel function lifting surface method to three dimensional, thin wing theory is discussed. A technique for determining the influence functions is presented. The technique is shown to require fewer quadrature points, while still calculating the influence functions accurately enough to guarantee convergence with an increasing number of spanwise quadrature points. The method also treats control points on the wing leading and trailing edges. The report introduces and employs an aspect of the kernel function method which apparently has never been used before and which significantly enhances the efficiency of the kernel function approach.

  15. LZW-Kernel: fast kernel utilizing variable length code blocks from LZW compressors for protein sequence classification.

    PubMed

    Filatov, Gleb; Bauwens, Bruno; Kertész-Farkas, Attila

    2018-05-07

    Bioinformatics studies often rely on similarity measures between sequence pairs, which often pose a bottleneck in large-scale sequence analysis. Here, we present a new convolutional kernel function for protein sequences called the LZW-Kernel. It is based on code words identified with the Lempel-Ziv-Welch (LZW) universal text compressor. The LZW-Kernel is an alignment-free method, it is always symmetric, is positive, always provides 1.0 for self-similarity and it can directly be used with Support Vector Machines (SVMs) in classification problems, contrary to normalized compression distance (NCD), which often violates the distance metric properties in practice and requires further techniques to be used with SVMs. The LZW-Kernel is a one-pass algorithm, which makes it particularly plausible for big data applications. Our experimental studies on remote protein homology detection and protein classification tasks reveal that the LZW-Kernel closely approaches the performance of the Local Alignment Kernel (LAK) and the SVM-pairwise method combined with Smith-Waterman (SW) scoring at a fraction of the time. Moreover, the LZW-Kernel outperforms the SVM-pairwise method when combined with BLAST scores, which indicates that the LZW code words might be a better basis for similarity measures than local alignment approximations found with BLAST. In addition, the LZW-Kernel outperforms n-gram based mismatch kernels, hidden Markov model based SAM and Fisher kernel, and protein family based PSI-BLAST, among others. Further advantages include the LZW-Kernel's reliance on a simple idea, its ease of implementation, and its high speed, three times faster than BLAST and several magnitudes faster than SW or LAK in our tests. LZW-Kernel is implemented as a standalone C code and is a free open-source program distributed under GPLv3 license and can be downloaded from https://github.com/kfattila/LZW-Kernel. akerteszfarkas@hse.ru. Supplementary data are available at Bioinformatics Online.

  16. Generalization Performance of Regularized Ranking With Multiscale Kernels.

    PubMed

    Zhou, Yicong; Chen, Hong; Lan, Rushi; Pan, Zhibin

    2016-05-01

    The regularized kernel method for the ranking problem has attracted increasing attentions in machine learning. The previous regularized ranking algorithms are usually based on reproducing kernel Hilbert spaces with a single kernel. In this paper, we go beyond this framework by investigating the generalization performance of the regularized ranking with multiscale kernels. A novel ranking algorithm with multiscale kernels is proposed and its representer theorem is proved. We establish the upper bound of the generalization error in terms of the complexity of hypothesis spaces. It shows that the multiscale ranking algorithm can achieve satisfactory learning rates under mild conditions. Experiments demonstrate the effectiveness of the proposed method for drug discovery and recommendation tasks.

  17. Fredholm-Volterra Integral Equation with a Generalized Singular Kernel and its Numerical Solutions

    NASA Astrophysics Data System (ADS)

    El-Kalla, I. L.; Al-Bugami, A. M.

    2010-11-01

    In this paper, the existence and uniqueness of solution of the Fredholm-Volterra integral equation (F-VIE), with a generalized singular kernel, are discussed and proved in the spaceL2(Ω)×C(0,T). The Fredholm integral term (FIT) is considered in position while the Volterra integral term (VIT) is considered in time. Using a numerical technique we have a system of Fredholm integral equations (SFIEs). This system of integral equations can be reduced to a linear algebraic system (LAS) of equations by using two different methods. These methods are: Toeplitz matrix method and Product Nyström method. A numerical examples are considered when the generalized kernel takes the following forms: Carleman function, logarithmic form, Cauchy kernel, and Hilbert kernel.

  18. The construction of a two-dimensional reproducing kernel function and its application in a biomedical model.

    PubMed

    Guo, Qi; Shen, Shu-Ting

    2016-04-29

    There are two major classes of cardiac tissue models: the ionic model and the FitzHugh-Nagumo model. During computer simulation, each model entails solving a system of complex ordinary differential equations and a partial differential equation with non-flux boundary conditions. The reproducing kernel method possesses significant applications in solving partial differential equations. The derivative of the reproducing kernel function is a wavelet function, which has local properties and sensitivities to singularity. Therefore, study on the application of reproducing kernel would be advantageous. Applying new mathematical theory to the numerical solution of the ventricular muscle model so as to improve its precision in comparison with other methods at present. A two-dimensional reproducing kernel function inspace is constructed and applied in computing the solution of two-dimensional cardiac tissue model by means of the difference method through time and the reproducing kernel method through space. Compared with other methods, this method holds several advantages such as high accuracy in computing solutions, insensitivity to different time steps and a slow propagation speed of error. It is suitable for disorderly scattered node systems without meshing, and can arbitrarily change the location and density of the solution on different time layers. The reproducing kernel method has higher solution accuracy and stability in the solutions of the two-dimensional cardiac tissue model.

  19. Dose calculation algorithm of fast fine-heterogeneity correction for heavy charged particle radiotherapy.

    PubMed

    Kanematsu, Nobuyuki

    2011-04-01

    This work addresses computing techniques for dose calculations in treatment planning with proton and ion beams, based on an efficient kernel-convolution method referred to as grid-dose spreading (GDS) and accurate heterogeneity-correction method referred to as Gaussian beam splitting. The original GDS algorithm suffered from distortion of dose distribution for beams tilted with respect to the dose-grid axes. Use of intermediate grids normal to the beam field has solved the beam-tilting distortion. Interplay of arrangement between beams and grids was found as another intrinsic source of artifact. Inclusion of rectangular-kernel convolution in beam transport, to share the beam contribution among the nearest grids in a regulatory manner, has solved the interplay problem. This algorithmic framework was applied to a tilted proton pencil beam and a broad carbon-ion beam. In these cases, while the elementary pencil beams individually split into several tens, the calculation time increased only by several times with the GDS algorithm. The GDS and beam-splitting methods will complementarily enable accurate and efficient dose calculations for radiotherapy with protons and ions. Copyright © 2010 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

  20. Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gottwald, Fabian; Karsten, Sven; Ivanov, Sergei D., E-mail: sergei.ivanov@uni-rostock.de

    2015-06-28

    Fundamental understanding of complex dynamics in many-particle systems on the atomistic level is of utmost importance. Often the systems of interest are of macroscopic size but can be partitioned into a few important degrees of freedom which are treated most accurately and others which constitute a thermal bath. Particular attention in this respect attracts the linear generalized Langevin equation, which can be rigorously derived by means of a linear projection technique. Within this framework, a complicated interaction with the bath can be reduced to a single memory kernel. This memory kernel in turn is parametrized for a particular system studied,more » usually by means of time-domain methods based on explicit molecular dynamics data. Here, we discuss that this task is more naturally achieved in frequency domain and develop a Fourier-based parametrization method that outperforms its time-domain analogues. Very surprisingly, the widely used rigid bond method turns out to be inappropriate in general. Importantly, we show that the rigid bond approach leads to a systematic overestimation of relaxation times, unless the system under study consists of a harmonic bath bi-linearly coupled to the relevant degrees of freedom.« less

  1. Modeling and optimization by particle swarm embedded neural network for adsorption of zinc (II) by palm kernel shell based activated carbon from aqueous environment.

    PubMed

    Karri, Rama Rao; Sahu, J N

    2018-01-15

    Zn (II) is one the common pollutant among heavy metals found in industrial effluents. Removal of pollutant from industrial effluents can be accomplished by various techniques, out of which adsorption was found to be an efficient method. Applications of adsorption limits itself due to high cost of adsorbent. In this regard, a low cost adsorbent produced from palm oil kernel shell based agricultural waste is examined for its efficiency to remove Zn (II) from waste water and aqueous solution. The influence of independent process variables like initial concentration, pH, residence time, activated carbon (AC) dosage and process temperature on the removal of Zn (II) by palm kernel shell based AC from batch adsorption process are studied systematically. Based on the design of experimental matrix, 50 experimental runs are performed with each process variable in the experimental range. The optimal values of process variables to achieve maximum removal efficiency is studied using response surface methodology (RSM) and artificial neural network (ANN) approaches. A quadratic model, which consists of first order and second order degree regressive model is developed using the analysis of variance and RSM - CCD framework. The particle swarm optimization which is a meta-heuristic optimization is embedded on the ANN architecture to optimize the search space of neural network. The optimized trained neural network well depicts the testing data and validation data with R 2 equal to 0.9106 and 0.9279 respectively. The outcomes indicates that the superiority of ANN-PSO based model predictions over the quadratic model predictions provided by RSM. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. An Evaluation of Kernel Equating: Parallel Equating with Classical Methods in the SAT Subject Tests[TM] Program. Research Report. ETS RR-09-06

    ERIC Educational Resources Information Center

    Grant, Mary C.; Zhang, Lilly; Damiano, Michele

    2009-01-01

    This study investigated kernel equating methods by comparing these methods to operational equatings for two tests in the SAT Subject Tests[TM] program. GENASYS (ETS, 2007) was used for all equating methods and scaled score kernel equating results were compared to Tucker, Levine observed score, chained linear, and chained equipercentile equating…

  3. Non-parametric wall model and methods of identifying boundary conditions for moments in gas flow equations

    NASA Astrophysics Data System (ADS)

    Liao, Meng; To, Quy-Dong; Léonard, Céline; Monchiet, Vincent

    2018-03-01

    In this paper, we use the molecular dynamics simulation method to study gas-wall boundary conditions. Discrete scattering information of gas molecules at the wall surface is obtained from collision simulations. The collision data can be used to identify the accommodation coefficients for parametric wall models such as Maxwell and Cercignani-Lampis scattering kernels. Since these scattering kernels are based on a limited number of accommodation coefficients, we adopt non-parametric statistical methods to construct the kernel to overcome these issues. Different from parametric kernels, the non-parametric kernels require no parameter (i.e. accommodation coefficients) and no predefined distribution. We also propose approaches to derive directly the Navier friction and Kapitza thermal resistance coefficients as well as other interface coefficients associated with moment equations from the non-parametric kernels. The methods are applied successfully to systems composed of CH4 or CO2 and graphite, which are of interest to the petroleum industry.

  4. Multistage adsorption of diffusing macromolecules and viruses

    NASA Astrophysics Data System (ADS)

    Chou, Tom; D'Orsogna, Maria R.

    2007-09-01

    We derive the equations that describe adsorption of diffusing particles onto a surface followed by additional surface kinetic steps before being transported across the interface. Multistage surface kinetics occurs during membrane protein insertion, cell signaling, and the infection of cells by virus particles. For example, viral entry into healthy cells is possible only after a series of receptor and coreceptor binding events occurs at the cellular surface. We couple the diffusion of particles in the bulk phase with the multistage surface kinetics and derive an effective, integrodifferential boundary condition that contains a memory kernel embodying the delay induced by the surface reactions. This boundary condition takes the form of a singular perturbation problem in the limit where particle-surface interactions are short ranged. Moreover, depending on the surface kinetics, the delay kernel induces a nonmonotonic, transient replenishment of the bulk particle concentration near the interface. The approach generalizes that of Ward and Tordai [J. Chem. Phys. 14, 453 (1946)] and Diamant and Andelman [Colloids Surf. A 183-185, 259 (2001)] to include surface kinetics, giving rise to qualitatively new behaviors. Our analysis also suggests a simple scheme by which stochastic surface reactions may be coupled to deterministic bulk diffusion.

  5. A new discriminative kernel from probabilistic models.

    PubMed

    Tsuda, Koji; Kawanabe, Motoaki; Rätsch, Gunnar; Sonnenburg, Sören; Müller, Klaus-Robert

    2002-10-01

    Recently, Jaakkola and Haussler (1999) proposed a method for constructing kernel functions from probabilistic models. Their so-called Fisher kernel has been combined with discriminative classifiers such as support vector machines and applied successfully in, for example, DNA and protein analysis. Whereas the Fisher kernel is calculated from the marginal log-likelihood, we propose the TOP kernel derived; from tangent vectors of posterior log-odds. Furthermore, we develop a theoretical framework on feature extractors from probabilistic models and use it for analyzing the TOP kernel. In experiments, our new discriminative TOP kernel compares favorably to the Fisher kernel.

  6. Prioritizing individual genetic variants after kernel machine testing using variable selection.

    PubMed

    He, Qianchuan; Cai, Tianxi; Liu, Yang; Zhao, Ni; Harmon, Quaker E; Almli, Lynn M; Binder, Elisabeth B; Engel, Stephanie M; Ressler, Kerry J; Conneely, Karen N; Lin, Xihong; Wu, Michael C

    2016-12-01

    Kernel machine learning methods, such as the SNP-set kernel association test (SKAT), have been widely used to test associations between traits and genetic polymorphisms. In contrast to traditional single-SNP analysis methods, these methods are designed to examine the joint effect of a set of related SNPs (such as a group of SNPs within a gene or a pathway) and are able to identify sets of SNPs that are associated with the trait of interest. However, as with many multi-SNP testing approaches, kernel machine testing can draw conclusion only at the SNP-set level, and does not directly inform on which one(s) of the identified SNP set is actually driving the associations. A recently proposed procedure, KerNel Iterative Feature Extraction (KNIFE), provides a general framework for incorporating variable selection into kernel machine methods. In this article, we focus on quantitative traits and relatively common SNPs, and adapt the KNIFE procedure to genetic association studies and propose an approach to identify driver SNPs after the application of SKAT to gene set analysis. Our approach accommodates several kernels that are widely used in SNP analysis, such as the linear kernel and the Identity by State (IBS) kernel. The proposed approach provides practically useful utilities to prioritize SNPs, and fills the gap between SNP set analysis and biological functional studies. Both simulation studies and real data application are used to demonstrate the proposed approach. © 2016 WILEY PERIODICALS, INC.

  7. Preparation of Simulated LBL Defects for Round Robin Experiment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gerczak, Tyler J.; Baldwin, Charles A.; Hunn, John D.

    2016-01-01

    A critical characteristic of the TRISO fuel design is its ability to retain fission products. During reactor operation, the TRISO layers act as barriers to release of fission products not stabilized in the kernel. Each component of the TRISO particle and compact construction plays a unique role in retaining select fission products, and layer performance is often interrelated. The IPyC, SiC, and OPyC layers are barriers to the release of fission product gases such as Kr and Xe. The SiC layer provides the primary barrier to release of metallic fission products not retained in the kernel, as transport across themore » SiC layer is rate limiting due to the greater permeability of the IPyC and OPyC layers to many metallic fission products. These attributes allow intact TRISO coatings to successfully retain most fission products released from the kernel, with the majority of released fission products during operation being due to defective, damaged, or failed coatings. This dominant release of fission products from compromised particles contributes to the overall source term in reactor; causing safety and maintenance concerns and limiting the lifetime of the fuel. Under these considerations, an understanding of the nature and frequency of compromised particles is an important part of predicting the expected fission product release and ensuring safe and efficient operation.« less

  8. An Ensemble Approach to Building Mercer Kernels with Prior Information

    NASA Technical Reports Server (NTRS)

    Srivastava, Ashok N.; Schumann, Johann; Fischer, Bernd

    2005-01-01

    This paper presents a new methodology for automatic knowledge driven data mining based on the theory of Mercer Kernels, which are highly nonlinear symmetric positive definite mappings from the original image space to a very high, possibly dimensional feature space. we describe a new method called Mixture Density Mercer Kernels to learn kernel function directly from data, rather than using pre-defined kernels. These data adaptive kernels can encode prior knowledge in the kernel using a Bayesian formulation, thus allowing for physical information to be encoded in the model. Specifically, we demonstrate the use of the algorithm in situations with extremely small samples of data. We compare the results with existing algorithms on data from the Sloan Digital Sky Survey (SDSS) and demonstrate the method's superior performance against standard methods. The code for these experiments has been generated with the AUTOBAYES tool, which automatically generates efficient and documented C/C++ code from abstract statistical model specifications. The core of the system is a schema library which contains templates for learning and knowledge discovery algorithms like different versions of EM, or numeric optimization methods like conjugate gradient methods. The template instantiation is supported by symbolic-algebraic computations, which allows AUTOBAYES to find closed-form solutions and, where possible, to integrate them into the code.

  9. A Classification of Remote Sensing Image Based on Improved Compound Kernels of Svm

    NASA Astrophysics Data System (ADS)

    Zhao, Jianing; Gao, Wanlin; Liu, Zili; Mou, Guifen; Lu, Lin; Yu, Lina

    The accuracy of RS classification based on SVM which is developed from statistical learning theory is high under small number of train samples, which results in satisfaction of classification on RS using SVM methods. The traditional RS classification method combines visual interpretation with computer classification. The accuracy of the RS classification, however, is improved a lot based on SVM method, because it saves much labor and time which is used to interpret images and collect training samples. Kernel functions play an important part in the SVM algorithm. It uses improved compound kernel function and therefore has a higher accuracy of classification on RS images. Moreover, compound kernel improves the generalization and learning ability of the kernel.

  10. Improving the Bandwidth Selection in Kernel Equating

    ERIC Educational Resources Information Center

    Andersson, Björn; von Davier, Alina A.

    2014-01-01

    We investigate the current bandwidth selection methods in kernel equating and propose a method based on Silverman's rule of thumb for selecting the bandwidth parameters. In kernel equating, the bandwidth parameters have previously been obtained by minimizing a penalty function. This minimization process has been criticized by practitioners…

  11. Efficient searching in meshfree methods

    NASA Astrophysics Data System (ADS)

    Olliff, James; Alford, Brad; Simkins, Daniel C.

    2018-04-01

    Meshfree methods such as the Reproducing Kernel Particle Method and the Element Free Galerkin method have proven to be excellent choices for problems involving complex geometry, evolving topology, and large deformation, owing to their ability to model the problem domain without the constraints imposed on the Finite Element Method (FEM) meshes. However, meshfree methods have an added computational cost over FEM that come from at least two sources: increased cost of shape function evaluation and the determination of adjacency or connectivity. The focus of this paper is to formally address the types of adjacency information that arises in various uses of meshfree methods; a discussion of available techniques for computing the various adjacency graphs; propose a new search algorithm and data structure; and finally compare the memory and run time performance of the methods.

  12. StarSmasher: Smoothed Particle Hydrodynamics code for smashing stars and planets

    NASA Astrophysics Data System (ADS)

    Gaburov, Evghenii; Lombardi, James C., Jr.; Portegies Zwart, Simon; Rasio, F. A.

    2018-05-01

    Smoothed Particle Hydrodynamics (SPH) is a Lagrangian particle method that approximates a continuous fluid as discrete nodes, each carrying various parameters such as mass, position, velocity, pressure, and temperature. In an SPH simulation the resolution scales with the particle density; StarSmasher is able to handle both equal-mass and equal number-density particle models. StarSmasher solves for hydro forces by calculating the pressure for each particle as a function of the particle's properties - density, internal energy, and internal properties (e.g. temperature and mean molecular weight). The code implements variational equations of motion and libraries to calculate the gravitational forces between particles using direct summation on NVIDIA graphics cards. Using a direct summation instead of a tree-based algorithm for gravity increases the accuracy of the gravity calculations at the cost of speed. The code uses a cubic spline for the smoothing kernel and an artificial viscosity prescription coupled with a Balsara Switch to prevent unphysical interparticle penetration. The code also implements an artificial relaxation force to the equations of motion to add a drag term to the calculated accelerations during relaxation integrations. Initially called StarCrash, StarSmasher was developed originally by Rasio.

  13. Production of near-full density uranium nitride microspheres with a hot isostatic press

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McMurray, Jacob W.; Kiggans, Jr., Jim O.; Helmreich, Grant W.

    Depleted uranium nitride (UN) kernels with diameters ranging from 420 to 858 microns and theoretical densities (TD) between 87 and 91 percent were postprocessed using a hot isostatic press (HIP) in an argon gas media. This treatment was shown to increase the TD up to above 97%. Uranium nitride is highly reactive with oxygen. Therefore, a novel crucible design was implemented to remove impurities in the argon gas via in situ gettering to avoid oxidation of the UN kernels. The density before and after each HIP procedure was calculated from average weight, volume, and ellipticity determined with established characterization techniquesmore » for particle. Furthermore, micrographs confirmed the nearly full densification of the particles using the gettering approach and HIP processing parameters investigated in this work.« less

  14. Antioxidant and antimicrobial activities of bitter and sweet apricot (Prunus armeniaca L.) kernels.

    PubMed

    Yiğit, D; Yiğit, N; Mavi, A

    2009-04-01

    The present study describes the in vitro antimicrobial and antioxidant activity of methanol and water extracts of sweet and bitter apricot (Prunus armeniaca L.) kernels. The antioxidant properties of apricot kernels were evaluated by determining radical scavenging power, lipid peroxidation inhibition activity and total phenol content measured with a DPPH test, the thiocyanate method and the Folin method, respectively. In contrast to extracts of the bitter kernels, both the water and methanol extracts of sweet kernels have antioxidant potential. The highest percent inhibition of lipid peroxidation (69%) and total phenolic content (7.9 +/- 0.2 microg/mL) were detected in the methanol extract of sweet kernels (Hasanbey) and in the water extract of the same cultivar, respectively. The antimicrobial activities of the above extracts were also tested against human pathogenic microorganisms using a disc-diffusion method, and the minimal inhibitory concentration (MIC) values of each active extract were determined. The most effective antibacterial activity was observed in the methanol and water extracts of bitter kernels and in the methanol extract of sweet kernels against the Gram-positive bacteria Staphylococcus aureus. Additionally, the methanol extracts of the bitter kernels were very potent against the Gram-negative bacteria Escherichia coli (0.312 mg/mL MIC value). Significant anti-candida activity was also observed with the methanol extract of bitter apricot kernels against Candida albicans, consisting of a 14 mm in diameter of inhibition zone and a 0.625 mg/mL MIC value.

  15. Scatter correction for cone-beam computed tomography using self-adaptive scatter kernel superposition

    NASA Astrophysics Data System (ADS)

    Xie, Shi-Peng; Luo, Li-Min

    2012-06-01

    The authors propose a combined scatter reduction and correction method to improve image quality in cone beam computed tomography (CBCT). The scatter kernel superposition (SKS) method has been used occasionally in previous studies. However, this method differs in that a scatter detecting blocker (SDB) was used between the X-ray source and the tested object to model the self-adaptive scatter kernel. This study first evaluates the scatter kernel parameters using the SDB, and then isolates the scatter distribution based on the SKS. The quality of image can be improved by removing the scatter distribution. The results show that the method can effectively reduce the scatter artifacts, and increase the image quality. Our approach increases the image contrast and reduces the magnitude of cupping. The accuracy of the SKS technique can be significantly improved in our method by using a self-adaptive scatter kernel. This method is computationally efficient, easy to implement, and provides scatter correction using a single scan acquisition.

  16. Classification With Truncated Distance Kernel.

    PubMed

    Huang, Xiaolin; Suykens, Johan A K; Wang, Shuning; Hornegger, Joachim; Maier, Andreas

    2018-05-01

    This brief proposes a truncated distance (TL1) kernel, which results in a classifier that is nonlinear in the global region but is linear in each subregion. With this kernel, the subregion structure can be trained using all the training data and local linear classifiers can be established simultaneously. The TL1 kernel has good adaptiveness to nonlinearity and is suitable for problems which require different nonlinearities in different areas. Though the TL1 kernel is not positive semidefinite, some classical kernel learning methods are still applicable which means that the TL1 kernel can be directly used in standard toolboxes by replacing the kernel evaluation. In numerical experiments, the TL1 kernel with a pregiven parameter achieves similar or better performance than the radial basis function kernel with the parameter tuned by cross validation, implying the TL1 kernel a promising nonlinear kernel for classification tasks.

  17. Effects of milling on functional properties of rice flour.

    PubMed

    Kadan, R S; Bryant, R J; Miller, J A

    2008-05-01

    A commercial long-grain rice flour (CRF) and the flours made by using a pin mill and the Udy mill from the same batch of broken second-head white long-grain rice were evaluated for their particle size and functional properties. The purpose of this study was to compare the commercial rice flour milling method to the pin and Udy milling methods used in our laboratory and pilot plant. The results showed that pin milled flour had more uniform particle size than the other 2 milled flours. The chalky kernels found in broken white milled rice were pulverized more into fines in both Udy milled flour and CRF than in the pin milled flour. The excessive amount of fines in flours affected their functional properties, for example, WSI and their potential usage in the novel foods such as rice breads (RB). The RB made from CRF collapsed more than loaves made from pin milled Cypress long-grain flours.

  18. Fast and accurate Voronoi density gridding from Lagrangian hydrodynamics data

    NASA Astrophysics Data System (ADS)

    Petkova, Maya A.; Laibe, Guillaume; Bonnell, Ian A.

    2018-01-01

    Voronoi grids have been successfully used to represent density structures of gas in astronomical hydrodynamics simulations. While some codes are explicitly built around using a Voronoi grid, others, such as Smoothed Particle Hydrodynamics (SPH), use particle-based representations and can benefit from constructing a Voronoi grid for post-processing their output. So far, calculating the density of each Voronoi cell from SPH data has been done numerically, which is both slow and potentially inaccurate. This paper proposes an alternative analytic method, which is fast and accurate. We derive an expression for the integral of a cubic spline kernel over the volume of a Voronoi cell and link it to the density of the cell. Mass conservation is ensured rigorously by the procedure. The method can be applied more broadly to integrate a spherically symmetric polynomial function over the volume of a random polyhedron.

  19. Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

    PubMed

    Heßelmann, Andreas

    2015-04-14

    Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations.

  20. Spectral Kernel Approach to Study Radiative Response of Climate Variables and Interannual Variability of Reflected Solar Spectrum

    NASA Technical Reports Server (NTRS)

    Jin, Zhonghai; Wielicki, Bruce A.; Loukachine, Constantin; Charlock, Thomas P.; Young, David; Noeel, Stefan

    2011-01-01

    The radiative kernel approach provides a simple way to separate the radiative response to different climate parameters and to decompose the feedback into radiative and climate response components. Using CERES/MODIS/Geostationary data, we calculated and analyzed the solar spectral reflectance kernels for various climate parameters on zonal, regional, and global spatial scales. The kernel linearity is tested. Errors in the kernel due to nonlinearity can vary strongly depending on climate parameter, wavelength, surface, and solar elevation; they are large in some absorption bands for some parameters but are negligible in most conditions. The spectral kernels are used to calculate the radiative responses to different climate parameter changes in different latitudes. The results show that the radiative response in high latitudes is sensitive to the coverage of snow and sea ice. The radiative response in low latitudes is contributed mainly by cloud property changes, especially cloud fraction and optical depth. The large cloud height effect is confined to absorption bands, while the cloud particle size effect is found mainly in the near infrared. The kernel approach, which is based on calculations using CERES retrievals, is then tested by direct comparison with spectral measurements from Scanning Imaging Absorption Spectrometer for Atmospheric Cartography (SCIAMACHY) (a different instrument on a different spacecraft). The monthly mean interannual variability of spectral reflectance based on the kernel technique is consistent with satellite observations over the ocean, but not over land, where both model and data have large uncertainty. RMS errors in kernel ]derived monthly global mean reflectance over the ocean compared to observations are about 0.001, and the sampling error is likely a major component.

  1. A technique to remove the tensile instability in weakly compressible SPH

    NASA Astrophysics Data System (ADS)

    Xu, Xiaoyang; Yu, Peng

    2018-01-01

    When smoothed particle hydrodynamics (SPH) is directly applied for the numerical simulations of transient viscoelastic free surface flows, a numerical problem called tensile instability arises. In this paper, we develop an optimized particle shifting technique to remove the tensile instability in SPH. The basic equations governing free surface flow of an Oldroyd-B fluid are considered, and approximated by an improved SPH scheme. This includes the implementations of the correction of kernel gradient and the introduction of Rusanov flux into the continuity equation. To verify the effectiveness of the optimized particle shifting technique in removing the tensile instability, the impacting drop, the injection molding of a C-shaped cavity, and the extrudate swell, are conducted. The numerical results obtained are compared with those simulated by other numerical methods. A comparison among different numerical techniques (e.g., the artificial stress) to remove the tensile instability is further performed. All numerical results agree well with the available data.

  2. Deep kernel learning method for SAR image target recognition

    NASA Astrophysics Data System (ADS)

    Chen, Xiuyuan; Peng, Xiyuan; Duan, Ran; Li, Junbao

    2017-10-01

    With the development of deep learning, research on image target recognition has made great progress in recent years. Remote sensing detection urgently requires target recognition for military, geographic, and other scientific research. This paper aims to solve the synthetic aperture radar image target recognition problem by combining deep and kernel learning. The model, which has a multilayer multiple kernel structure, is optimized layer by layer with the parameters of Support Vector Machine and a gradient descent algorithm. This new deep kernel learning method improves accuracy and achieves competitive recognition results compared with other learning methods.

  3. Carbon monoxide formation in UO 2 kerneled HTR fuel particles containing oxygen getters

    NASA Astrophysics Data System (ADS)

    Proksch, E.; Strigl, A.; Nabielek, H.

    1986-06-01

    Mass spectrometric measurements of CO in irradiated UO 2 kerneled HTR fuel particles containing various oxygen getters are summarized and evaluated. Uranium carbide addition in the 3 to 15% range reduces the CO release by factors between 25 and 80, up to burn-up levels as high as 70% FIMA. Unintentional gettering by SiC in TRISO coated particles with failed inner pyrocarbon layers results in CO reduction factors between 15 and 110. For ZrC, only somewhat ambiguous results have been obtained; most likely, ZrC results in CO reduction by a factor of about 40. Ce 2O 3 and La 2O 3 seem to be somewhat less effective than the three carbides; for Ce 2O 3, reduction factors between 3 and 15 have been found. However, these results are possibly incorrect due to premature oxidation of the getter already during fabrication. Addition of SiO 2 + Al 2O 3 has no influence on CO release at all.

  4. Searching Remote Homology with Spectral Clustering with Symmetry in Neighborhood Cluster Kernels

    PubMed Central

    Maulik, Ujjwal; Sarkar, Anasua

    2013-01-01

    Remote homology detection among proteins utilizing only the unlabelled sequences is a central problem in comparative genomics. The existing cluster kernel methods based on neighborhoods and profiles and the Markov clustering algorithms are currently the most popular methods for protein family recognition. The deviation from random walks with inflation or dependency on hard threshold in similarity measure in those methods requires an enhancement for homology detection among multi-domain proteins. We propose to combine spectral clustering with neighborhood kernels in Markov similarity for enhancing sensitivity in detecting homology independent of “recent” paralogs. The spectral clustering approach with new combined local alignment kernels more effectively exploits the unsupervised protein sequences globally reducing inter-cluster walks. When combined with the corrections based on modified symmetry based proximity norm deemphasizing outliers, the technique proposed in this article outperforms other state-of-the-art cluster kernels among all twelve implemented kernels. The comparison with the state-of-the-art string and mismatch kernels also show the superior performance scores provided by the proposed kernels. Similar performance improvement also is found over an existing large dataset. Therefore the proposed spectral clustering framework over combined local alignment kernels with modified symmetry based correction achieves superior performance for unsupervised remote homolog detection even in multi-domain and promiscuous domain proteins from Genolevures database families with better biological relevance. Source code available upon request. Contact: sarkar@labri.fr. PMID:23457439

  5. Searching remote homology with spectral clustering with symmetry in neighborhood cluster kernels.

    PubMed

    Maulik, Ujjwal; Sarkar, Anasua

    2013-01-01

    Remote homology detection among proteins utilizing only the unlabelled sequences is a central problem in comparative genomics. The existing cluster kernel methods based on neighborhoods and profiles and the Markov clustering algorithms are currently the most popular methods for protein family recognition. The deviation from random walks with inflation or dependency on hard threshold in similarity measure in those methods requires an enhancement for homology detection among multi-domain proteins. We propose to combine spectral clustering with neighborhood kernels in Markov similarity for enhancing sensitivity in detecting homology independent of "recent" paralogs. The spectral clustering approach with new combined local alignment kernels more effectively exploits the unsupervised protein sequences globally reducing inter-cluster walks. When combined with the corrections based on modified symmetry based proximity norm deemphasizing outliers, the technique proposed in this article outperforms other state-of-the-art cluster kernels among all twelve implemented kernels. The comparison with the state-of-the-art string and mismatch kernels also show the superior performance scores provided by the proposed kernels. Similar performance improvement also is found over an existing large dataset. Therefore the proposed spectral clustering framework over combined local alignment kernels with modified symmetry based correction achieves superior performance for unsupervised remote homolog detection even in multi-domain and promiscuous domain proteins from Genolevures database families with better biological relevance. Source code available upon request. sarkar@labri.fr.

  6. Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials

    NASA Astrophysics Data System (ADS)

    Jin, Ye; Yang, Yang; Zhang, Du; Peng, Degao; Yang, Weitao

    2017-10-01

    The optimized effective potential (OEP) that gives accurate Kohn-Sham (KS) orbitals and orbital energies can be obtained from a given reference electron density. These OEP-KS orbitals and orbital energies are used here for calculating electronic excited states with the particle-particle random phase approximation (pp-RPA). Our calculations allow the examination of pp-RPA excitation energies with the exact KS density functional theory (DFT). Various input densities are investigated. Specifically, the excitation energies using the OEP with the electron densities from the coupled-cluster singles and doubles method display the lowest mean absolute error from the reference data for the low-lying excited states. This study probes into the theoretical limit of the pp-RPA excitation energies with the exact KS-DFT orbitals and orbital energies. We believe that higher-order correlation contributions beyond the pp-RPA bare Coulomb kernel are needed in order to achieve even higher accuracy in excitation energy calculations.

  7. Quasi-kernel polynomials and convergence results for quasi-minimal residual iterations

    NASA Technical Reports Server (NTRS)

    Freund, Roland W.

    1992-01-01

    Recently, Freund and Nachtigal have proposed a novel polynominal-based iteration, the quasi-minimal residual algorithm (QMR), for solving general nonsingular non-Hermitian linear systems. Motivated by the QMR method, we have introduced the general concept of quasi-kernel polynomials, and we have shown that the QMR algorithm is based on a particular instance of quasi-kernel polynomials. In this paper, we continue our study of quasi-kernel polynomials. In particular, we derive bounds for the norms of quasi-kernel polynomials. These results are then applied to obtain convergence theorems both for the QMR method and for a transpose-free variant of QMR, the TFQMR algorithm.

  8. CW-SSIM kernel based random forest for image classification

    NASA Astrophysics Data System (ADS)

    Fan, Guangzhe; Wang, Zhou; Wang, Jiheng

    2010-07-01

    Complex wavelet structural similarity (CW-SSIM) index has been proposed as a powerful image similarity metric that is robust to translation, scaling and rotation of images, but how to employ it in image classification applications has not been deeply investigated. In this paper, we incorporate CW-SSIM as a kernel function into a random forest learning algorithm. This leads to a novel image classification approach that does not require a feature extraction or dimension reduction stage at the front end. We use hand-written digit recognition as an example to demonstrate our algorithm. We compare the performance of the proposed approach with random forest learning based on other kernels, including the widely adopted Gaussian and the inner product kernels. Empirical evidences show that the proposed method is superior in its classification power. We also compared our proposed approach with the direct random forest method without kernel and the popular kernel-learning method support vector machine. Our test results based on both simulated and realworld data suggest that the proposed approach works superior to traditional methods without the feature selection procedure.

  9. Flood susceptibility mapping using a novel ensemble weights-of-evidence and support vector machine models in GIS

    NASA Astrophysics Data System (ADS)

    Tehrany, Mahyat Shafapour; Pradhan, Biswajeet; Jebur, Mustafa Neamah

    2014-05-01

    Flood is one of the most devastating natural disasters that occur frequently in Terengganu, Malaysia. Recently, ensemble based techniques are getting extremely popular in flood modeling. In this paper, weights-of-evidence (WoE) model was utilized first, to assess the impact of classes of each conditioning factor on flooding through bivariate statistical analysis (BSA). Then, these factors were reclassified using the acquired weights and entered into the support vector machine (SVM) model to evaluate the correlation between flood occurrence and each conditioning factor. Through this integration, the weak point of WoE can be solved and the performance of the SVM will be enhanced. The spatial database included flood inventory, slope, stream power index (SPI), topographic wetness index (TWI), altitude, curvature, distance from the river, geology, rainfall, land use/cover (LULC), and soil type. Four kernel types of SVM (linear kernel (LN), polynomial kernel (PL), radial basis function kernel (RBF), and sigmoid kernel (SIG)) were used to investigate the performance of each kernel type. The efficiency of the new ensemble WoE and SVM method was tested using area under curve (AUC) which measured the prediction and success rates. The validation results proved the strength and efficiency of the ensemble method over the individual methods. The best results were obtained from RBF kernel when compared with the other kernel types. Success rate and prediction rate for ensemble WoE and RBF-SVM method were 96.48% and 95.67% respectively. The proposed ensemble flood susceptibility mapping method could assist researchers and local governments in flood mitigation strategies.

  10. Assessment of Possible Cycle Lengths for Fully-Ceramic Micro-Encapsulated Fuel-Based Light Water Reactor Concepts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    R. Sonat Sen; Michael A. Pope; Abderrafi M. Ougouag

    2012-04-01

    The tri-isotropic (TRISO) fuel developed for High Temperature reactors is known for its extraordinary fission product retention capabilities [1]. Recently, the possibility of extending the use of TRISO particle fuel to Light Water Reactor (LWR) technology, and perhaps other reactor concepts, has received significant attention [2]. The Deep Burn project [3] currently focuses on once-through burning of transuranic fissile and fissionable isotopes (TRU) in LWRs. The fuel form for this purpose is called Fully-Ceramic Micro-encapsulated (FCM) fuel, a concept that borrows the TRISO fuel particle design from high temperature reactor technology, but uses SiC as a matrix material rather thanmore » graphite. In addition, FCM fuel may also use a cladding made of a variety of possible material, again including SiC as an admissible choice. The FCM fuel used in the Deep Burn (DB) project showed promising results in terms of fission product retention at high burnup values and during high-temperature transients. In the case of DB applications, the fuel loading within a TRISO particle is constituted entirely of fissile or fissionable isotopes. Consequently, the fuel was shown to be capable of achieving reasonable burnup levels and cycle lengths, especially in the case of mixed cores (with coexisting DB and regular LWR UO2 fuels). In contrast, as shown below, the use of UO2-only FCM fuel in a LWR results in considerably shorter cycle length when compared to current-generation ordinary LWR designs. Indeed, the constraint of limited space availability for heavy metal loading within the TRISO particles of FCM fuel and the constraint of low (i.e., below 20 w/0) 235U enrichment combine to result in shorter cycle lengths compared to ordinary LWRs if typical LWR power densities are also assumed and if typical TRISO particle dimensions and UO2 kernels are specified. The primary focus of this summary is on using TRISO particles with up to 20 w/0 enriched uranium kernels loaded in Pressurized Water Reactor (PWR) assemblies. In addition to consideration of this 'naive' use of TRISO fuel in LWRs, several refined options are briefly examined and others are identified for further consideration including the use of advanced, high density fuel forms and larger kernel diameters and TRISO packing fractions. The combination of 800 {micro}m diameter kernels of 20% enriched UN and 50% TRISO packing fraction yielded reactivity sufficient to achieve comparable burnup to present-day PWR fuel.« less

  11. Calibration of discrete element model parameters: soybeans

    NASA Astrophysics Data System (ADS)

    Ghodki, Bhupendra M.; Patel, Manish; Namdeo, Rohit; Carpenter, Gopal

    2018-05-01

    Discrete element method (DEM) simulations are broadly used to get an insight of flow characteristics of granular materials in complex particulate systems. DEM input parameters for a model are the critical prerequisite for an efficient simulation. Thus, the present investigation aims to determine DEM input parameters for Hertz-Mindlin model using soybeans as a granular material. To achieve this aim, widely acceptable calibration approach was used having standard box-type apparatus. Further, qualitative and quantitative findings such as particle profile, height of kernels retaining the acrylic wall, and angle of repose of experiments and numerical simulations were compared to get the parameters. The calibrated set of DEM input parameters includes the following (a) material properties: particle geometric mean diameter (6.24 mm); spherical shape; particle density (1220 kg m^{-3} ), and (b) interaction parameters such as particle-particle: coefficient of restitution (0.17); coefficient of static friction (0.26); coefficient of rolling friction (0.08), and particle-wall: coefficient of restitution (0.35); coefficient of static friction (0.30); coefficient of rolling friction (0.08). The results may adequately be used to simulate particle scale mechanics (grain commingling, flow/motion, forces, etc) of soybeans in post-harvest machinery and devices.

  12. SU-E-T-329: Dosimetric Impact of Implementing Metal Artifact Reduction Methods and Metal Energy Deposition Kernels for Photon Dose Calculations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huang, J; Followill, D; Howell, R

    2015-06-15

    Purpose: To investigate two strategies for reducing dose calculation errors near metal implants: use of CT metal artifact reduction methods and implementation of metal-based energy deposition kernels in the convolution/superposition (C/S) method. Methods: Radiochromic film was used to measure the dose upstream and downstream of titanium and Cerrobend implants. To assess the dosimetric impact of metal artifact reduction methods, dose calculations were performed using baseline, uncorrected images and metal artifact reduction Methods: Philips O-MAR, GE’s monochromatic gemstone spectral imaging (GSI) using dual-energy CT, and GSI imaging with metal artifact reduction software applied (MARs).To assess the impact of metal kernels, titaniummore » and silver kernels were implemented into a commercial collapsed cone C/S algorithm. Results: The CT artifact reduction methods were more successful for titanium than Cerrobend. Interestingly, for beams traversing the metal implant, we found that errors in the dimensions of the metal in the CT images were more important for dose calculation accuracy than reduction of imaging artifacts. The MARs algorithm caused a distortion in the shape of the titanium implant that substantially worsened the calculation accuracy. In comparison to water kernel dose calculations, metal kernels resulted in better modeling of the increased backscatter dose at the upstream interface but decreased accuracy directly downstream of the metal. We also found that the success of metal kernels was dependent on dose grid size, with smaller calculation voxels giving better accuracy. Conclusion: Our study yielded mixed results, with neither the metal artifact reduction methods nor the metal kernels being globally effective at improving dose calculation accuracy. However, some successes were observed. The MARs algorithm decreased errors downstream of Cerrobend by a factor of two, and metal kernels resulted in more accurate backscatter dose upstream of metals. Thus, these two strategies do have the potential to improve accuracy for patients with metal implants in certain scenarios. This work was supported by Public Health Service grants CA 180803 and CA 10953 awarded by the National Cancer Institute, United States of Health and Human Services, and in part by Mobius Medical Systems.« less

  13. A framework for optimal kernel-based manifold embedding of medical image data.

    PubMed

    Zimmer, Veronika A; Lekadir, Karim; Hoogendoorn, Corné; Frangi, Alejandro F; Piella, Gemma

    2015-04-01

    Kernel-based dimensionality reduction is a widely used technique in medical image analysis. To fully unravel the underlying nonlinear manifold the selection of an adequate kernel function and of its free parameters is critical. In practice, however, the kernel function is generally chosen as Gaussian or polynomial and such standard kernels might not always be optimal for a given image dataset or application. In this paper, we present a study on the effect of the kernel functions in nonlinear manifold embedding of medical image data. To this end, we first carry out a literature review on existing advanced kernels developed in the statistics, machine learning, and signal processing communities. In addition, we implement kernel-based formulations of well-known nonlinear dimensional reduction techniques such as Isomap and Locally Linear Embedding, thus obtaining a unified framework for manifold embedding using kernels. Subsequently, we present a method to automatically choose a kernel function and its associated parameters from a pool of kernel candidates, with the aim to generate the most optimal manifold embeddings. Furthermore, we show how the calculated selection measures can be extended to take into account the spatial relationships in images, or used to combine several kernels to further improve the embedding results. Experiments are then carried out on various synthetic and phantom datasets for numerical assessment of the methods. Furthermore, the workflow is applied to real data that include brain manifolds and multispectral images to demonstrate the importance of the kernel selection in the analysis of high-dimensional medical images. Copyright © 2014 Elsevier Ltd. All rights reserved.

  14. Improving medical diagnosis reliability using Boosted C5.0 decision tree empowered by Particle Swarm Optimization.

    PubMed

    Pashaei, Elnaz; Ozen, Mustafa; Aydin, Nizamettin

    2015-08-01

    Improving accuracy of supervised classification algorithms in biomedical applications is one of active area of research. In this study, we improve the performance of Particle Swarm Optimization (PSO) combined with C4.5 decision tree (PSO+C4.5) classifier by applying Boosted C5.0 decision tree as the fitness function. To evaluate the effectiveness of our proposed method, it is implemented on 1 microarray dataset and 5 different medical data sets obtained from UCI machine learning databases. Moreover, the results of PSO + Boosted C5.0 implementation are compared to eight well-known benchmark classification methods (PSO+C4.5, support vector machine under the kernel of Radial Basis Function, Classification And Regression Tree (CART), C4.5 decision tree, C5.0 decision tree, Boosted C5.0 decision tree, Naive Bayes and Weighted K-Nearest neighbor). Repeated five-fold cross-validation method was used to justify the performance of classifiers. Experimental results show that our proposed method not only improve the performance of PSO+C4.5 but also obtains higher classification accuracy compared to the other classification methods.

  15. A Novel Approach to Visualizing Dark Matter Simulations.

    PubMed

    Kaehler, R; Hahn, O; Abel, T

    2012-12-01

    In the last decades cosmological N-body dark matter simulations have enabled ab initio studies of the formation of structure in the Universe. Gravity amplified small density fluctuations generated shortly after the Big Bang, leading to the formation of galaxies in the cosmic web. These calculations have led to a growing demand for methods to analyze time-dependent particle based simulations. Rendering methods for such N-body simulation data usually employ some kind of splatting approach via point based rendering primitives and approximate the spatial distributions of physical quantities using kernel interpolation techniques, common in SPH (Smoothed Particle Hydrodynamics)-codes. This paper proposes three GPU-assisted rendering approaches, based on a new, more accurate method to compute the physical densities of dark matter simulation data. It uses full phase-space information to generate a tetrahedral tessellation of the computational domain, with mesh vertices defined by the simulation's dark matter particle positions. Over time the mesh is deformed by gravitational forces, causing the tetrahedral cells to warp and overlap. The new methods are well suited to visualize the cosmic web. In particular they preserve caustics, regions of high density that emerge, when several streams of dark matter particles share the same location in space, indicating the formation of structures like sheets, filaments and halos. We demonstrate the superior image quality of the new approaches in a comparison with three standard rendering techniques for N-body simulation data.

  16. Multidimensional NMR inversion without Kronecker products: Multilinear inversion

    NASA Astrophysics Data System (ADS)

    Medellín, David; Ravi, Vivek R.; Torres-Verdín, Carlos

    2016-08-01

    Multidimensional NMR inversion using Kronecker products poses several challenges. First, kernel compression is only possible when the kernel matrices are separable, and in recent years, there has been an increasing interest in NMR sequences with non-separable kernels. Second, in three or more dimensions, the singular value decomposition is not unique; therefore kernel compression is not well-defined for higher dimensions. Without kernel compression, the Kronecker product yields matrices that require large amounts of memory, making the inversion intractable for personal computers. Finally, incorporating arbitrary regularization terms is not possible using the Lawson-Hanson (LH) or the Butler-Reeds-Dawson (BRD) algorithms. We develop a minimization-based inversion method that circumvents the above problems by using multilinear forms to perform multidimensional NMR inversion without using kernel compression or Kronecker products. The new method is memory efficient, requiring less than 0.1% of the memory required by the LH or BRD methods. It can also be extended to arbitrary dimensions and adapted to include non-separable kernels, linear constraints, and arbitrary regularization terms. Additionally, it is easy to implement because only a cost function and its first derivative are required to perform the inversion.

  17. A Temperature Compensation Method for Piezo-Resistive Pressure Sensor Utilizing Chaotic Ions Motion Algorithm Optimized Hybrid Kernel LSSVM.

    PubMed

    Li, Ji; Hu, Guoqing; Zhou, Yonghong; Zou, Chong; Peng, Wei; Alam Sm, Jahangir

    2016-10-14

    A piezo-resistive pressure sensor is made of silicon, the nature of which is considerably influenced by ambient temperature. The effect of temperature should be eliminated during the working period in expectation of linear output. To deal with this issue, an approach consists of a hybrid kernel Least Squares Support Vector Machine (LSSVM) optimized by a chaotic ions motion algorithm presented. To achieve the learning and generalization for excellent performance, a hybrid kernel function, constructed by a local kernel as Radial Basis Function (RBF) kernel, and a global kernel as polynomial kernel is incorporated into the Least Squares Support Vector Machine. The chaotic ions motion algorithm is introduced to find the best hyper-parameters of the Least Squares Support Vector Machine. The temperature data from a calibration experiment is conducted to validate the proposed method. With attention on algorithm robustness and engineering applications, the compensation result shows the proposed scheme outperforms other compared methods on several performance measures as maximum absolute relative error, minimum absolute relative error mean and variance of the averaged value on fifty runs. Furthermore, the proposed temperature compensation approach lays a foundation for more extensive research.

  18. Adaptive kernel function using line transect sampling

    NASA Astrophysics Data System (ADS)

    Albadareen, Baker; Ismail, Noriszura

    2018-04-01

    The estimation of f(0) is crucial in the line transect method which is used for estimating population abundance in wildlife survey's. The classical kernel estimator of f(0) has a high negative bias. Our study proposes an adaptation in the kernel function which is shown to be more efficient than the usual kernel estimator. A simulation study is adopted to compare the performance of the proposed estimators with the classical kernel estimators.

  19. Performance Assessment of Kernel Density Clustering for Gene Expression Profile Data

    PubMed Central

    Zeng, Beiyan; Chen, Yiping P.; Smith, Oscar H.

    2003-01-01

    Kernel density smoothing techniques have been used in classification or supervised learning of gene expression profile (GEP) data, but their applications to clustering or unsupervised learning of those data have not been explored and assessed. Here we report a kernel density clustering method for analysing GEP data and compare its performance with the three most widely-used clustering methods: hierarchical clustering, K-means clustering, and multivariate mixture model-based clustering. Using several methods to measure agreement, between-cluster isolation, and withincluster coherence, such as the Adjusted Rand Index, the Pseudo F test, the r2 test, and the profile plot, we have assessed the effectiveness of kernel density clustering for recovering clusters, and its robustness against noise on clustering both simulated and real GEP data. Our results show that the kernel density clustering method has excellent performance in recovering clusters from simulated data and in grouping large real expression profile data sets into compact and well-isolated clusters, and that it is the most robust clustering method for analysing noisy expression profile data compared to the other three methods assessed. PMID:18629292

  20. Anatomical image-guided fluorescence molecular tomography reconstruction using kernel method

    NASA Astrophysics Data System (ADS)

    Baikejiang, Reheman; Zhao, Yue; Fite, Brett Z.; Ferrara, Katherine W.; Li, Changqing

    2017-05-01

    Fluorescence molecular tomography (FMT) is an important in vivo imaging modality to visualize physiological and pathological processes in small animals. However, FMT reconstruction is ill-posed and ill-conditioned due to strong optical scattering in deep tissues, which results in poor spatial resolution. It is well known that FMT image quality can be improved substantially by applying the structural guidance in the FMT reconstruction. An approach to introducing anatomical information into the FMT reconstruction is presented using the kernel method. In contrast to conventional methods that incorporate anatomical information with a Laplacian-type regularization matrix, the proposed method introduces the anatomical guidance into the projection model of FMT. The primary advantage of the proposed method is that it does not require segmentation of targets in the anatomical images. Numerical simulations and phantom experiments have been performed to demonstrate the proposed approach's feasibility. Numerical simulation results indicate that the proposed kernel method can separate two FMT targets with an edge-to-edge distance of 1 mm and is robust to false-positive guidance and inhomogeneity in the anatomical image. For the phantom experiments with two FMT targets, the kernel method has reconstructed both targets successfully, which further validates the proposed kernel method.

  1. Anthraquinones isolated from the browned Chinese chestnut kernels (Castanea mollissima blume)

    NASA Astrophysics Data System (ADS)

    Zhang, Y. L.; Qi, J. H.; Qin, L.; Wang, F.; Pang, M. X.

    2016-08-01

    Anthraquinones (AQS) represent a group of secondary metallic products in plants. AQS are often naturally occurring in plants and microorganisms. In a previous study, we found that AQS were produced by enzymatic browning reaction in Chinese chestnut kernels. To find out whether non-enzymatic browning reaction in the kernels could produce AQS too, AQS were extracted from three groups of chestnut kernels: fresh kernels, non-enzymatic browned kernels, and browned kernels, and the contents of AQS were determined. High performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) methods were used to identify two compounds of AQS, rehein(1) and emodin(2). AQS were barely exists in the fresh kernels, while both browned kernel groups sample contained a high amount of AQS. Thus, we comfirmed that AQS could be produced during both enzymatic and non-enzymatic browning process. Rhein and emodin were the main components of AQS in the browned kernels.

  2. Sepsis mortality prediction with the Quotient Basis Kernel.

    PubMed

    Ribas Ripoll, Vicent J; Vellido, Alfredo; Romero, Enrique; Ruiz-Rodríguez, Juan Carlos

    2014-05-01

    This paper presents an algorithm to assess the risk of death in patients with sepsis. Sepsis is a common clinical syndrome in the intensive care unit (ICU) that can lead to severe sepsis, a severe state of septic shock or multi-organ failure. The proposed algorithm may be implemented as part of a clinical decision support system that can be used in combination with the scores deployed in the ICU to improve the accuracy, sensitivity and specificity of mortality prediction for patients with sepsis. In this paper, we used the Simplified Acute Physiology Score (SAPS) for ICU patients and the Sequential Organ Failure Assessment (SOFA) to build our kernels and algorithms. In the proposed method, we embed the available data in a suitable feature space and use algorithms based on linear algebra, geometry and statistics for inference. We present a simplified version of the Fisher kernel (practical Fisher kernel for multinomial distributions), as well as a novel kernel that we named the Quotient Basis Kernel (QBK). These kernels are used as the basis for mortality prediction using soft-margin support vector machines. The two new kernels presented are compared against other generative kernels based on the Jensen-Shannon metric (centred, exponential and inverse) and other widely used kernels (linear, polynomial and Gaussian). Clinical relevance is also evaluated by comparing these results with logistic regression and the standard clinical prediction method based on the initial SAPS score. As described in this paper, we tested the new methods via cross-validation with a cohort of 400 test patients. The results obtained using our methods compare favourably with those obtained using alternative kernels (80.18% accuracy for the QBK) and the standard clinical prediction method, which are based on the basal SAPS score or logistic regression (71.32% and 71.55%, respectively). The QBK presented a sensitivity and specificity of 79.34% and 83.24%, which outperformed the other kernels analysed, logistic regression and the standard clinical prediction method based on the basal SAPS score. Several scoring systems for patients with sepsis have been introduced and developed over the last 30 years. They allow for the assessment of the severity of disease and provide an estimate of in-hospital mortality. Physiology-based scoring systems are applied to critically ill patients and have a number of advantages over diagnosis-based systems. Severity score systems are often used to stratify critically ill patients for possible inclusion in clinical trials. In this paper, we present an effective algorithm that combines both scoring methodologies for the assessment of death in patients with sepsis that can be used to improve the sensitivity and specificity of the currently available methods. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. a Gsa-Svm Hybrid System for Classification of Binary Problems

    NASA Astrophysics Data System (ADS)

    Sarafrazi, Soroor; Nezamabadi-pour, Hossein; Barahman, Mojgan

    2011-06-01

    This paperhybridizesgravitational search algorithm (GSA) with support vector machine (SVM) and made a novel GSA-SVM hybrid system to improve the classification accuracy in binary problems. GSA is an optimization heuristic toolused to optimize the value of SVM kernel parameter (in this paper, radial basis function (RBF) is chosen as the kernel function). The experimental results show that this newapproach can achieve high classification accuracy and is comparable to or better than the particle swarm optimization (PSO)-SVM and genetic algorithm (GA)-SVM, which are two hybrid systems for classification.

  4. A 3D Ginibre Point Field

    NASA Astrophysics Data System (ADS)

    Kargin, Vladislav

    2018-06-01

    We introduce a family of three-dimensional random point fields using the concept of the quaternion determinant. The kernel of each field is an n-dimensional orthogonal projection on a linear space of quaternionic polynomials. We find explicit formulas for the basis of the orthogonal quaternion polynomials and for the kernel of the projection. For number of particles n → ∞, we calculate the scaling limits of the point field in the bulk and at the center of coordinates. We compare our construction with the previously introduced Fermi-sphere point field process.

  5. Dynamic characteristics of oxygen consumption.

    PubMed

    Ye, Lin; Argha, Ahmadreza; Yu, Hairong; Celler, Branko G; Nguyen, Hung T; Su, Steven

    2018-04-23

    Previous studies have indicated that oxygen uptake ([Formula: see text]) is one of the most accurate indices for assessing the cardiorespiratory response to exercise. In most existing studies, the response of [Formula: see text] is often roughly modelled as a first-order system due to the inadequate stimulation and low signal to noise ratio. To overcome this difficulty, this paper proposes a novel nonparametric kernel-based method for the dynamic modelling of [Formula: see text] response to provide a more robust estimation. Twenty healthy non-athlete participants conducted treadmill exercises with monotonous stimulation (e.g., single step function as input). During the exercise, [Formula: see text] was measured and recorded by a popular portable gas analyser ([Formula: see text], COSMED). Based on the recorded data, a kernel-based estimation method was proposed to perform the nonparametric modelling of [Formula: see text]. For the proposed method, a properly selected kernel can represent the prior modelling information to reduce the dependence of comprehensive stimulations. Furthermore, due to the special elastic net formed by [Formula: see text] norm and kernelised [Formula: see text] norm, the estimations are smooth and concise. Additionally, the finite impulse response based nonparametric model which estimated by the proposed method can optimally select the order and fit better in terms of goodness-of-fit comparing to classical methods. Several kernels were introduced for the kernel-based [Formula: see text] modelling method. The results clearly indicated that the stable spline (SS) kernel has the best performance for [Formula: see text] modelling. Particularly, based on the experimental data from 20 participants, the estimated response from the proposed method with SS kernel was significantly better than the results from the benchmark method [i.e., prediction error method (PEM)] ([Formula: see text] vs [Formula: see text]). The proposed nonparametric modelling method is an effective method for the estimation of the impulse response of VO 2 -Speed system. Furthermore, the identified average nonparametric model method can dynamically predict [Formula: see text] response with acceptable accuracy during treadmill exercise.

  6. Kernel reconstruction methods for Doppler broadening - Temperature interpolation by linear combination of reference cross sections at optimally chosen temperatures

    NASA Astrophysics Data System (ADS)

    Ducru, Pablo; Josey, Colin; Dibert, Karia; Sobes, Vladimir; Forget, Benoit; Smith, Kord

    2017-04-01

    This article establishes a new family of methods to perform temperature interpolation of nuclear interactions cross sections, reaction rates, or cross sections times the energy. One of these quantities at temperature T is approximated as a linear combination of quantities at reference temperatures (Tj). The problem is formalized in a cross section independent fashion by considering the kernels of the different operators that convert cross section related quantities from a temperature T0 to a higher temperature T - namely the Doppler broadening operation. Doppler broadening interpolation of nuclear cross sections is thus here performed by reconstructing the kernel of the operation at a given temperature T by means of linear combination of kernels at reference temperatures (Tj). The choice of the L2 metric yields optimal linear interpolation coefficients in the form of the solutions of a linear algebraic system inversion. The optimization of the choice of reference temperatures (Tj) is then undertaken so as to best reconstruct, in the L∞ sense, the kernels over a given temperature range [Tmin ,Tmax ]. The performance of these kernel reconstruction methods is then assessed in light of previous temperature interpolation methods by testing them upon isotope 238U. Temperature-optimized free Doppler kernel reconstruction significantly outperforms all previous interpolation-based methods, achieving 0.1% relative error on temperature interpolation of 238U total cross section over the temperature range [ 300 K , 3000 K ] with only 9 reference temperatures.

  7. Online selective kernel-based temporal difference learning.

    PubMed

    Chen, Xingguo; Gao, Yang; Wang, Ruili

    2013-12-01

    In this paper, an online selective kernel-based temporal difference (OSKTD) learning algorithm is proposed to deal with large scale and/or continuous reinforcement learning problems. OSKTD includes two online procedures: online sparsification and parameter updating for the selective kernel-based value function. A new sparsification method (i.e., a kernel distance-based online sparsification method) is proposed based on selective ensemble learning, which is computationally less complex compared with other sparsification methods. With the proposed sparsification method, the sparsified dictionary of samples is constructed online by checking if a sample needs to be added to the sparsified dictionary. In addition, based on local validity, a selective kernel-based value function is proposed to select the best samples from the sample dictionary for the selective kernel-based value function approximator. The parameters of the selective kernel-based value function are iteratively updated by using the temporal difference (TD) learning algorithm combined with the gradient descent technique. The complexity of the online sparsification procedure in the OSKTD algorithm is O(n). In addition, two typical experiments (Maze and Mountain Car) are used to compare with both traditional and up-to-date O(n) algorithms (GTD, GTD2, and TDC using the kernel-based value function), and the results demonstrate the effectiveness of our proposed algorithm. In the Maze problem, OSKTD converges to an optimal policy and converges faster than both traditional and up-to-date algorithms. In the Mountain Car problem, OSKTD converges, requires less computation time compared with other sparsification methods, gets a better local optima than the traditional algorithms, and converges much faster than the up-to-date algorithms. In addition, OSKTD can reach a competitive ultimate optima compared with the up-to-date algorithms.

  8. Protein fold recognition using geometric kernel data fusion.

    PubMed

    Zakeri, Pooya; Jeuris, Ben; Vandebril, Raf; Moreau, Yves

    2014-07-01

    Various approaches based on features extracted from protein sequences and often machine learning methods have been used in the prediction of protein folds. Finding an efficient technique for integrating these different protein features has received increasing attention. In particular, kernel methods are an interesting class of techniques for integrating heterogeneous data. Various methods have been proposed to fuse multiple kernels. Most techniques for multiple kernel learning focus on learning a convex linear combination of base kernels. In addition to the limitation of linear combinations, working with such approaches could cause a loss of potentially useful information. We design several techniques to combine kernel matrices by taking more involved, geometry inspired means of these matrices instead of convex linear combinations. We consider various sequence-based protein features including information extracted directly from position-specific scoring matrices and local sequence alignment. We evaluate our methods for classification on the SCOP PDB-40D benchmark dataset for protein fold recognition. The best overall accuracy on the protein fold recognition test set obtained by our methods is ∼ 86.7%. This is an improvement over the results of the best existing approach. Moreover, our computational model has been developed by incorporating the functional domain composition of proteins through a hybridization model. It is observed that by using our proposed hybridization model, the protein fold recognition accuracy is further improved to 89.30%. Furthermore, we investigate the performance of our approach on the protein remote homology detection problem by fusing multiple string kernels. The MATLAB code used for our proposed geometric kernel fusion frameworks are publicly available at http://people.cs.kuleuven.be/∼raf.vandebril/homepage/software/geomean.php?menu=5/. © The Author 2014. Published by Oxford University Press.

  9. Classification of Phylogenetic Profiles for Protein Function Prediction: An SVM Approach

    NASA Astrophysics Data System (ADS)

    Kotaru, Appala Raju; Joshi, Ramesh C.

    Predicting the function of an uncharacterized protein is a major challenge in post-genomic era due to problems complexity and scale. Having knowledge of protein function is a crucial link in the development of new drugs, better crops, and even the development of biochemicals such as biofuels. Recently numerous high-throughput experimental procedures have been invented to investigate the mechanisms leading to the accomplishment of a protein’s function and Phylogenetic profile is one of them. Phylogenetic profile is a way of representing a protein which encodes evolutionary history of proteins. In this paper we proposed a method for classification of phylogenetic profiles using supervised machine learning method, support vector machine classification along with radial basis function as kernel for identifying functionally linked proteins. We experimentally evaluated the performance of the classifier with the linear kernel, polynomial kernel and compared the results with the existing tree kernel. In our study we have used proteins of the budding yeast saccharomyces cerevisiae genome. We generated the phylogenetic profiles of 2465 yeast genes and for our study we used the functional annotations that are available in the MIPS database. Our experiments show that the performance of the radial basis kernel is similar to polynomial kernel is some functional classes together are better than linear, tree kernel and over all radial basis kernel outperformed the polynomial kernel, linear kernel and tree kernel. In analyzing these results we show that it will be feasible to make use of SVM classifier with radial basis function as kernel to predict the gene functionality using phylogenetic profiles.

  10. Putting Priors in Mixture Density Mercer Kernels

    NASA Technical Reports Server (NTRS)

    Srivastava, Ashok N.; Schumann, Johann; Fischer, Bernd

    2004-01-01

    This paper presents a new methodology for automatic knowledge driven data mining based on the theory of Mercer Kernels, which are highly nonlinear symmetric positive definite mappings from the original image space to a very high, possibly infinite dimensional feature space. We describe a new method called Mixture Density Mercer Kernels to learn kernel function directly from data, rather than using predefined kernels. These data adaptive kernels can en- code prior knowledge in the kernel using a Bayesian formulation, thus allowing for physical information to be encoded in the model. We compare the results with existing algorithms on data from the Sloan Digital Sky Survey (SDSS). The code for these experiments has been generated with the AUTOBAYES tool, which automatically generates efficient and documented C/C++ code from abstract statistical model specifications. The core of the system is a schema library which contains template for learning and knowledge discovery algorithms like different versions of EM, or numeric optimization methods like conjugate gradient methods. The template instantiation is supported by symbolic- algebraic computations, which allows AUTOBAYES to find closed-form solutions and, where possible, to integrate them into the code. The results show that the Mixture Density Mercer-Kernel described here outperforms tree-based classification in distinguishing high-redshift galaxies from low- redshift galaxies by approximately 16% on test data, bagged trees by approximately 7%, and bagged trees built on a much larger sample of data by approximately 2%.

  11. Approximate l-fold cross-validation with Least Squares SVM and Kernel Ridge Regression

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Edwards, Richard E; Zhang, Hao; Parker, Lynne Edwards

    2013-01-01

    Kernel methods have difficulties scaling to large modern data sets. The scalability issues are based on computational and memory requirements for working with a large matrix. These requirements have been addressed over the years by using low-rank kernel approximations or by improving the solvers scalability. However, Least Squares Support VectorMachines (LS-SVM), a popular SVM variant, and Kernel Ridge Regression still have several scalability issues. In particular, the O(n^3) computational complexity for solving a single model, and the overall computational complexity associated with tuning hyperparameters are still major problems. We address these problems by introducing an O(n log n) approximate l-foldmore » cross-validation method that uses a multi-level circulant matrix to approximate the kernel. In addition, we prove our algorithm s computational complexity and present empirical runtimes on data sets with approximately 1 million data points. We also validate our approximate method s effectiveness at selecting hyperparameters on real world and standard benchmark data sets. Lastly, we provide experimental results on using a multi-level circulant kernel approximation to solve LS-SVM problems with hyperparameters selected using our method.« less

  12. Sparsity-based image monitoring of crystal size distribution during crystallization

    NASA Astrophysics Data System (ADS)

    Liu, Tao; Huo, Yan; Ma, Cai Y.; Wang, Xue Z.

    2017-07-01

    To facilitate monitoring crystal size distribution (CSD) during a crystallization process by using an in-situ imaging system, a sparsity-based image analysis method is proposed for real-time implementation. To cope with image degradation arising from in-situ measurement subject to particle motion, solution turbulence, and uneven illumination background in the crystallizer, sparse representation of a real-time captured crystal image is developed based on using an in-situ image dictionary established in advance, such that the noise components in the captured image can be efficiently removed. Subsequently, the edges of a crystal shape in a captured image are determined in terms of the salience information defined from the denoised crystal images. These edges are used to derive a blur kernel for reconstruction of a denoised image. A non-blind deconvolution algorithm is given for the real-time reconstruction. Consequently, image segmentation can be easily performed for evaluation of CSD. The crystal image dictionary and blur kernels are timely updated in terms of the imaging conditions to improve the restoration efficiency. An experimental study on the cooling crystallization of α-type L-glutamic acid (LGA) is shown to demonstrate the effectiveness and merit of the proposed method.

  13. Dispersal kernel estimation: A comparison of empirical and modelled particle dispersion in a coastal marine system

    NASA Astrophysics Data System (ADS)

    Hrycik, Janelle M.; Chassé, Joël; Ruddick, Barry R.; Taggart, Christopher T.

    2013-11-01

    Early life-stage dispersal influences recruitment and is of significance in explaining the distribution and connectivity of marine species. Motivations for quantifying dispersal range from biodiversity conservation to the design of marine reserves and the mitigation of species invasions. Here we compare estimates of real particle dispersion in a coastal marine environment with similar estimates provided by hydrodynamic modelling. We do so by using a system of magnetically attractive particles (MAPs) and a magnetic-collector array that provides measures of Lagrangian dispersion based on the time-integration of MAPs dispersing through the array. MAPs released as a point source in a coastal marine location dispersed through the collector array over a 5-7 d period. A virtual release and observed (real-time) environmental conditions were used in a high-resolution three-dimensional hydrodynamic model to estimate the dispersal of virtual particles (VPs). The number of MAPs captured throughout the collector array and the number of VPs that passed through each corresponding model location were enumerated and compared. Although VP dispersal reflected several aspects of the observed MAP dispersal, the comparisons demonstrated model sensitivity to the small-scale (random-walk) particle diffusivity parameter (Kp). The one-dimensional dispersal kernel for the MAPs had an e-folding scale estimate in the range of 5.19-11.44 km, while those from the model simulations were comparable at 1.89-6.52 km, and also demonstrated sensitivity to Kp. Variations among comparisons are related to the value of Kp used in modelling and are postulated to be related to MAP losses from the water column and (or) shear dispersion acting on the MAPs; a process that is constrained in the model. Our demonstration indicates a promising new way of 1) quantitatively and empirically estimating the dispersal kernel in aquatic systems, and 2) quantitatively assessing and (or) improving regional hydrodynamic models.

  14. Metabolite identification through multiple kernel learning on fragmentation trees.

    PubMed

    Shen, Huibin; Dührkop, Kai; Böcker, Sebastian; Rousu, Juho

    2014-06-15

    Metabolite identification from tandem mass spectrometric data is a key task in metabolomics. Various computational methods have been proposed for the identification of metabolites from tandem mass spectra. Fragmentation tree methods explore the space of possible ways in which the metabolite can fragment, and base the metabolite identification on scoring of these fragmentation trees. Machine learning methods have been used to map mass spectra to molecular fingerprints; predicted fingerprints, in turn, can be used to score candidate molecular structures. Here, we combine fragmentation tree computations with kernel-based machine learning to predict molecular fingerprints and identify molecular structures. We introduce a family of kernels capturing the similarity of fragmentation trees, and combine these kernels using recently proposed multiple kernel learning approaches. Experiments on two large reference datasets show that the new methods significantly improve molecular fingerprint prediction accuracy. These improvements result in better metabolite identification, doubling the number of metabolites ranked at the top position of the candidates list. © The Author 2014. Published by Oxford University Press.

  15. Half-blind remote sensing image restoration with partly unknown degradation

    NASA Astrophysics Data System (ADS)

    Xie, Meihua; Yan, Fengxia

    2017-01-01

    The problem of image restoration has been extensively studied for its practical importance and theoretical interest. This paper mainly discusses the problem of image restoration with partly unknown kernel. In this model, the degraded kernel function is known but its parameters are unknown. With this model, we should estimate the parameters in Gaussian kernel and the real image simultaneity. For this new problem, a total variation restoration model is put out and an intersect direction iteration algorithm is designed. Peak Signal to Noise Ratio (PSNR) and Structural Similarity Index Measurement (SSIM) are used to measure the performance of the method. Numerical results show that we can estimate the parameters in kernel accurately, and the new method has both much higher PSNR and much higher SSIM than the expectation maximization (EM) method in many cases. In addition, the accuracy of estimation is not sensitive to noise. Furthermore, even though the support of the kernel is unknown, we can also use this method to get accurate estimation.

  16. Coronary Stent Artifact Reduction with an Edge-Enhancing Reconstruction Kernel - A Prospective Cross-Sectional Study with 256-Slice CT.

    PubMed

    Tan, Stéphanie; Soulez, Gilles; Diez Martinez, Patricia; Larrivée, Sandra; Stevens, Louis-Mathieu; Goussard, Yves; Mansour, Samer; Chartrand-Lefebvre, Carl

    2016-01-01

    Metallic artifacts can result in an artificial thickening of the coronary stent wall which can significantly impair computed tomography (CT) imaging in patients with coronary stents. The objective of this study is to assess in vivo visualization of coronary stent wall and lumen with an edge-enhancing CT reconstruction kernel, as compared to a standard kernel. This is a prospective cross-sectional study involving the assessment of 71 coronary stents (24 patients), with blinded observers. After 256-slice CT angiography, image reconstruction was done with medium-smooth and edge-enhancing kernels. Stent wall thickness was measured with both orthogonal and circumference methods, averaging thickness from diameter and circumference measurements, respectively. Image quality was assessed quantitatively using objective parameters (noise, signal to noise (SNR) and contrast to noise (CNR) ratios), as well as visually using a 5-point Likert scale. Stent wall thickness was decreased with the edge-enhancing kernel in comparison to the standard kernel, either with the orthogonal (0.97 ± 0.02 versus 1.09 ± 0.03 mm, respectively; p<0.001) or the circumference method (1.13 ± 0.02 versus 1.21 ± 0.02 mm, respectively; p = 0.001). The edge-enhancing kernel generated less overestimation from nominal thickness compared to the standard kernel, both with the orthogonal (0.89 ± 0.19 versus 1.00 ± 0.26 mm, respectively; p<0.001) and the circumference (1.06 ± 0.26 versus 1.13 ± 0.31 mm, respectively; p = 0.005) methods. The edge-enhancing kernel was associated with lower SNR and CNR, as well as higher background noise (all p < 0.001), in comparison to the medium-smooth kernel. Stent visual scores were higher with the edge-enhancing kernel (p<0.001). In vivo 256-slice CT assessment of coronary stents shows that the edge-enhancing CT reconstruction kernel generates thinner stent walls, less overestimation from nominal thickness, and better image quality scores than the standard kernel.

  17. A ℓ2, 1 norm regularized multi-kernel learning for false positive reduction in Lung nodule CAD.

    PubMed

    Cao, Peng; Liu, Xiaoli; Zhang, Jian; Li, Wei; Zhao, Dazhe; Huang, Min; Zaiane, Osmar

    2017-03-01

    The aim of this paper is to describe a novel algorithm for False Positive Reduction in lung nodule Computer Aided Detection(CAD). In this paper, we describes a new CT lung CAD method which aims to detect solid nodules. Specially, we proposed a multi-kernel classifier with a ℓ 2, 1 norm regularizer for heterogeneous feature fusion and selection from the feature subset level, and designed two efficient strategies to optimize the parameters of kernel weights in non-smooth ℓ 2, 1 regularized multiple kernel learning algorithm. The first optimization algorithm adapts a proximal gradient method for solving the ℓ 2, 1 norm of kernel weights, and use an accelerated method based on FISTA; the second one employs an iterative scheme based on an approximate gradient descent method. The results demonstrates that the FISTA-style accelerated proximal descent method is efficient for the ℓ 2, 1 norm formulation of multiple kernel learning with the theoretical guarantee of the convergence rate. Moreover, the experimental results demonstrate the effectiveness of the proposed methods in terms of Geometric mean (G-mean) and Area under the ROC curve (AUC), and significantly outperforms the competing methods. The proposed approach exhibits some remarkable advantages both in heterogeneous feature subsets fusion and classification phases. Compared with the fusion strategies of feature-level and decision level, the proposed ℓ 2, 1 norm multi-kernel learning algorithm is able to accurately fuse the complementary and heterogeneous feature sets, and automatically prune the irrelevant and redundant feature subsets to form a more discriminative feature set, leading a promising classification performance. Moreover, the proposed algorithm consistently outperforms the comparable classification approaches in the literature. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  18. Examining Potential Boundary Bias Effects in Kernel Smoothing on Equating: An Introduction for the Adaptive and Epanechnikov Kernels.

    PubMed

    Cid, Jaime A; von Davier, Alina A

    2015-05-01

    Test equating is a method of making the test scores from different test forms of the same assessment comparable. In the equating process, an important step involves continuizing the discrete score distributions. In traditional observed-score equating, this step is achieved using linear interpolation (or an unscaled uniform kernel). In the kernel equating (KE) process, this continuization process involves Gaussian kernel smoothing. It has been suggested that the choice of bandwidth in kernel smoothing controls the trade-off between variance and bias. In the literature on estimating density functions using kernels, it has also been suggested that the weight of the kernel depends on the sample size, and therefore, the resulting continuous distribution exhibits bias at the endpoints, where the samples are usually smaller. The purpose of this article is (a) to explore the potential effects of atypical scores (spikes) at the extreme ends (high and low) on the KE method in distributions with different degrees of asymmetry using the randomly equivalent groups equating design (Study I), and (b) to introduce the Epanechnikov and adaptive kernels as potential alternative approaches to reducing boundary bias in smoothing (Study II). The beta-binomial model is used to simulate observed scores reflecting a range of different skewed shapes.

  19. Fokker-Planck equation for the non-Markovian Brownian motion in the presence of a magnetic field

    NASA Astrophysics Data System (ADS)

    Das, Joydip; Mondal, Shrabani; Bag, Bidhan Chandra

    2017-10-01

    In the present study, we have proposed the Fokker-Planck equation in a simple way for a Langevin equation of motion having ordinary derivative (OD), the Gaussian random force and a generalized frictional memory kernel. The equation may be associated with or without conservative force field from harmonic potential. We extend this method for a charged Brownian particle in the presence of a magnetic field. Thus, the present method is applicable for a Langevin equation of motion with OD, the Gaussian colored thermal noise and any kind of linear force field that may be conservative or not. It is also simple to apply this method for the colored Gaussian noise that is not related to the damping strength.

  20. Fokker-Planck equation for the non-Markovian Brownian motion in the presence of a magnetic field.

    PubMed

    Das, Joydip; Mondal, Shrabani; Bag, Bidhan Chandra

    2017-10-28

    In the present study, we have proposed the Fokker-Planck equation in a simple way for a Langevin equation of motion having ordinary derivative (OD), the Gaussian random force and a generalized frictional memory kernel. The equation may be associated with or without conservative force field from harmonic potential. We extend this method for a charged Brownian particle in the presence of a magnetic field. Thus, the present method is applicable for a Langevin equation of motion with OD, the Gaussian colored thermal noise and any kind of linear force field that may be conservative or not. It is also simple to apply this method for the colored Gaussian noise that is not related to the damping strength.

  1. The influence of sub-grid scale motions on particle collision in homogeneous isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Xiong, Yan; Li, Jing; Liu, Zhaohui; Zheng, Chuguang

    2018-02-01

    The absence of sub-grid scale (SGS) motions leads to severe errors in particle pair dynamics, which represents a great challenge to the large eddy simulation of particle-laden turbulent flow. In order to address this issue, data from direct numerical simulation (DNS) of homogenous isotropic turbulence coupled with Lagrangian particle tracking are used as a benchmark to evaluate the corresponding results of filtered DNS (FDNS). It is found that the filtering process in FDNS will lead to a non-monotonic variation of the particle collision statistics, including radial distribution function, radial relative velocity, and the collision kernel. The peak of radial distribution function shifts to the large-inertia region due to the lack of SGS motions, and the analysis of the local flowstructure characteristic variable at particle position indicates that the most effective interaction scale between particles and fluid eddies is increased in FDNS. Moreover, this scale shifting has an obvious effect on the odd-order moments of the probability density function of radial relative velocity, i.e. the skewness, which exhibits a strong correlation to the variance of radial distribution function in FDNS. As a whole, the radial distribution function, together with radial relative velocity, can compensate the SGS effects for the collision kernel in FDNS when the Stokes number based on the Kolmogorov time scale is greater than 3.0. However, it still leaves considerable errors for { St}_k <3.0.

  2. Partial Deconvolution with Inaccurate Blur Kernel.

    PubMed

    Ren, Dongwei; Zuo, Wangmeng; Zhang, David; Xu, Jun; Zhang, Lei

    2017-10-17

    Most non-blind deconvolution methods are developed under the error-free kernel assumption, and are not robust to inaccurate blur kernel. Unfortunately, despite the great progress in blind deconvolution, estimation error remains inevitable during blur kernel estimation. Consequently, severe artifacts such as ringing effects and distortions are likely to be introduced in the non-blind deconvolution stage. In this paper, we tackle this issue by suggesting: (i) a partial map in the Fourier domain for modeling kernel estimation error, and (ii) a partial deconvolution model for robust deblurring with inaccurate blur kernel. The partial map is constructed by detecting the reliable Fourier entries of estimated blur kernel. And partial deconvolution is applied to wavelet-based and learning-based models to suppress the adverse effect of kernel estimation error. Furthermore, an E-M algorithm is developed for estimating the partial map and recovering the latent sharp image alternatively. Experimental results show that our partial deconvolution model is effective in relieving artifacts caused by inaccurate blur kernel, and can achieve favorable deblurring quality on synthetic and real blurry images.Most non-blind deconvolution methods are developed under the error-free kernel assumption, and are not robust to inaccurate blur kernel. Unfortunately, despite the great progress in blind deconvolution, estimation error remains inevitable during blur kernel estimation. Consequently, severe artifacts such as ringing effects and distortions are likely to be introduced in the non-blind deconvolution stage. In this paper, we tackle this issue by suggesting: (i) a partial map in the Fourier domain for modeling kernel estimation error, and (ii) a partial deconvolution model for robust deblurring with inaccurate blur kernel. The partial map is constructed by detecting the reliable Fourier entries of estimated blur kernel. And partial deconvolution is applied to wavelet-based and learning-based models to suppress the adverse effect of kernel estimation error. Furthermore, an E-M algorithm is developed for estimating the partial map and recovering the latent sharp image alternatively. Experimental results show that our partial deconvolution model is effective in relieving artifacts caused by inaccurate blur kernel, and can achieve favorable deblurring quality on synthetic and real blurry images.

  3. SU-E-T-22: A Deterministic Solver of the Boltzmann-Fokker-Planck Equation for Dose Calculation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hong, X; Gao, H; Paganetti, H

    2015-06-15

    Purpose: The Boltzmann-Fokker-Planck equation (BFPE) accurately models the migration of photons/charged particles in tissues. While the Monte Carlo (MC) method is popular for solving BFPE in a statistical manner, we aim to develop a deterministic BFPE solver based on various state-of-art numerical acceleration techniques for rapid and accurate dose calculation. Methods: Our BFPE solver is based on the structured grid that is maximally parallelizable, with the discretization in energy, angle and space, and its cross section coefficients are derived or directly imported from the Geant4 database. The physical processes that are taken into account are Compton scattering, photoelectric effect, pairmore » production for photons, and elastic scattering, ionization and bremsstrahlung for charged particles.While the spatial discretization is based on the diamond scheme, the angular discretization synergizes finite element method (FEM) and spherical harmonics (SH). Thus, SH is used to globally expand the scattering kernel and FFM is used to locally discretize the angular sphere. As a Result, this hybrid method (FEM-SH) is both accurate in dealing with forward-peaking scattering via FEM, and efficient for multi-energy-group computation via SH. In addition, FEM-SH enables the analytical integration in energy variable of delta scattering kernel for elastic scattering with reduced truncation error from the numerical integration based on the classic SH-based multi-energy-group method. Results: The accuracy of the proposed BFPE solver was benchmarked against Geant4 for photon dose calculation. In particular, FEM-SH had improved accuracy compared to FEM, while both were within 2% of the results obtained with Geant4. Conclusion: A deterministic solver of the Boltzmann-Fokker-Planck equation is developed for dose calculation, and benchmarked against Geant4. Xiang Hong and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang Talent Program (#14PJ1404500)« less

  4. Automated Sperm Head Detection Using Intersecting Cortical Model Optimised by Particle Swarm Optimization.

    PubMed

    Tan, Weng Chun; Mat Isa, Nor Ashidi

    2016-01-01

    In human sperm motility analysis, sperm segmentation plays an important role to determine the location of multiple sperms. To ensure an improved segmentation result, the Laplacian of Gaussian filter is implemented as a kernel in a pre-processing step before applying the image segmentation process to automatically segment and detect human spermatozoa. This study proposes an intersecting cortical model (ICM), which was derived from several visual cortex models, to segment the sperm head region. However, the proposed method suffered from parameter selection; thus, the ICM network is optimised using particle swarm optimization where feature mutual information is introduced as the new fitness function. The final results showed that the proposed method is more accurate and robust than four state-of-the-art segmentation methods. The proposed method resulted in rates of 98.14%, 98.82%, 86.46% and 99.81% in accuracy, sensitivity, specificity and precision, respectively, after testing with 1200 sperms. The proposed algorithm is expected to be implemented in analysing sperm motility because of the robustness and capability of this algorithm.

  5. A Modified Monte Carlo Method for Carrier Transport in Germanium, Free of Isotropic Rates

    NASA Astrophysics Data System (ADS)

    Sundqvist, Kyle

    2010-03-01

    We present a new method for carrier transport simulation, relevant for high-purity germanium < 100 > at a temperature of 40 mK. In this system, the scattering of electrons and holes is dominated by spontaneous phonon emission. Free carriers are always out of equilibrium with the lattice. We must also properly account for directional effects due to band structure, but there are many cautions in the literature about treating germanium in particular. These objections arise because the germanium electron system is anisotropic to an extreme degree, while standard Monte Carlo algorithms maintain a reliance on isotropic, integrated rates. We re-examine Fermi's Golden Rule to produce a Monte Carlo method free of isotropic rates. Traditional Monte Carlo codes implement particle scattering based on an isotropically averaged rate, followed by a separate selection of the particle's final state via a momentum-dependent probability. In our method, the kernel of Fermi's Golden Rule produces analytical, bivariate rates which allow for the simultaneous choice of scatter and final state selection. Energy and momentum are automatically conserved. We compare our results to experimental data.

  6. Dealing with non-unique and non-monotonic response in particle sizing instruments

    NASA Astrophysics Data System (ADS)

    Rosenberg, Phil

    2017-04-01

    A number of instruments used as de-facto standards for measuring particle size distributions are actually incapable of uniquely determining the size of an individual particle. This is due to non-unique or non-monotonic response functions. Optical particle counters have non monotonic response due to oscillations in the Mie response curves, especially for large aerosol and small cloud droplets. Scanning mobility particle sizers respond identically to two particles where the ratio of particle size to particle charge is approximately the same. Images of two differently sized cloud or precipitation particles taken by an optical array probe can have similar dimensions or shadowed area depending upon where they are in the imaging plane. A number of methods exist to deal with these issues, including assuming that positive and negative errors cancel, smoothing response curves, integrating regions in measurement space before conversion to size space and matrix inversion. Matrix inversion (also called kernel inversion) has the advantage that it determines the size distribution which best matches the observations, given specific information about the instrument (a matrix which specifies the probability that a particle of a given size will be measured in a given instrument size bin). In this way it maximises use of the information in the measurements. However this technique can be confused by poor counting statistics which can cause erroneous results and negative concentrations. Also an effective method for propagating uncertainties is yet to be published or routinely implemented. Her we present a new alternative which overcomes these issues. We use Bayesian methods to determine the probability that a given size distribution is correct given a set of instrument data and then we use Markov Chain Monte Carlo methods to sample this many dimensional probability distribution function to determine the expectation and (co)variances - hence providing a best guess and an uncertainty for the size distribution which includes contributions from the non-unique response curve, counting statistics and can propagate calibration uncertainties.

  7. 3DRT-MPASS

    NASA Technical Reports Server (NTRS)

    Lickly, Ben

    2005-01-01

    Data from all current JPL missions are stored in files called SPICE kernels. At present, animators who want to use data from these kernels have to either read through the kernels looking for the desired data, or write programs themselves to retrieve information about all the needed objects for their animations. In this project, methods of automating the process of importing the data from the SPICE kernels were researched. In particular, tools were developed for creating basic scenes in Maya, a 3D computer graphics software package, from SPICE kernels.

  8. MultiDK: A Multiple Descriptor Multiple Kernel Approach for Molecular Discovery and Its Application to Organic Flow Battery Electrolytes.

    PubMed

    Kim, Sungjin; Jinich, Adrián; Aspuru-Guzik, Alán

    2017-04-24

    We propose a multiple descriptor multiple kernel (MultiDK) method for efficient molecular discovery using machine learning. We show that the MultiDK method improves both the speed and accuracy of molecular property prediction. We apply the method to the discovery of electrolyte molecules for aqueous redox flow batteries. Using multiple-type-as opposed to single-type-descriptors, we obtain more relevant features for machine learning. Following the principle of "wisdom of the crowds", the combination of multiple-type descriptors significantly boosts prediction performance. Moreover, by employing multiple kernels-more than one kernel function for a set of the input descriptors-MultiDK exploits nonlinear relations between molecular structure and properties better than a linear regression approach. The multiple kernels consist of a Tanimoto similarity kernel and a linear kernel for a set of binary descriptors and a set of nonbinary descriptors, respectively. Using MultiDK, we achieve an average performance of r 2 = 0.92 with a test set of molecules for solubility prediction. We also extend MultiDK to predict pH-dependent solubility and apply it to a set of quinone molecules with different ionizable functional groups to assess their performance as flow battery electrolytes.

  9. Compound analysis via graph kernels incorporating chirality.

    PubMed

    Brown, J B; Urata, Takashi; Tamura, Takeyuki; Arai, Midori A; Kawabata, Takeo; Akutsu, Tatsuya

    2010-12-01

    High accuracy is paramount when predicting biochemical characteristics using Quantitative Structural-Property Relationships (QSPRs). Although existing graph-theoretic kernel methods combined with machine learning techniques are efficient for QSPR model construction, they cannot distinguish topologically identical chiral compounds which often exhibit different biological characteristics. In this paper, we propose a new method that extends the recently developed tree pattern graph kernel to accommodate stereoisomers. We show that Support Vector Regression (SVR) with a chiral graph kernel is useful for target property prediction by demonstrating its application to a set of human vitamin D receptor ligands currently under consideration for their potential anti-cancer effects.

  10. A locally adaptive kernel regression method for facies delineation

    NASA Astrophysics Data System (ADS)

    Fernàndez-Garcia, D.; Barahona-Palomo, M.; Henri, C. V.; Sanchez-Vila, X.

    2015-12-01

    Facies delineation is defined as the separation of geological units with distinct intrinsic characteristics (grain size, hydraulic conductivity, mineralogical composition). A major challenge in this area stems from the fact that only a few scattered pieces of hydrogeological information are available to delineate geological facies. Several methods to delineate facies are available in the literature, ranging from those based only on existing hard data, to those including secondary data or external knowledge about sedimentological patterns. This paper describes a methodology to use kernel regression methods as an effective tool for facies delineation. The method uses both the spatial and the actual sampled values to produce, for each individual hard data point, a locally adaptive steering kernel function, self-adjusting the principal directions of the local anisotropic kernels to the direction of highest local spatial correlation. The method is shown to outperform the nearest neighbor classification method in a number of synthetic aquifers whenever the available number of hard data is small and randomly distributed in space. In the case of exhaustive sampling, the steering kernel regression method converges to the true solution. Simulations ran in a suite of synthetic examples are used to explore the selection of kernel parameters in typical field settings. It is shown that, in practice, a rule of thumb can be used to obtain suboptimal results. The performance of the method is demonstrated to significantly improve when external information regarding facies proportions is incorporated. Remarkably, the method allows for a reasonable reconstruction of the facies connectivity patterns, shown in terms of breakthrough curves performance.

  11. Production of Low Enriched Uranium Nitride Kernels for TRISO Particle Irradiation Testing

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McMurray, J. W.; Silva, C. M.; Helmreich, G. W.

    2016-06-01

    A large batch of UN microspheres to be used as kernels for TRISO particle fuel was produced using carbothermic reduction and nitriding of a sol-gel feedstock bearing tailored amounts of low-enriched uranium (LEU) oxide and carbon. The process parameters, established in a previous study, produced phasepure NaCl structure UN with dissolved C on the N sublattice. The composition, calculated by refinement of the lattice parameter from X-ray diffraction, was determined to be UC 0.27N 0.73. The final accepted product weighed 197.4 g. The microspheres had an average diameter of 797±1.35 μm and a composite mean theoretical density of 89.9±0.5% formore » a solid solution of UC and UN with the same atomic ratio; both values are reported with their corresponding calculated standard error.« less

  12. A new randomized Kaczmarz based kernel canonical correlation analysis algorithm with applications to information retrieval.

    PubMed

    Cai, Jia; Tang, Yi

    2018-02-01

    Canonical correlation analysis (CCA) is a powerful statistical tool for detecting the linear relationship between two sets of multivariate variables. Kernel generalization of it, namely, kernel CCA is proposed to describe nonlinear relationship between two variables. Although kernel CCA can achieve dimensionality reduction results for high-dimensional data feature selection problem, it also yields the so called over-fitting phenomenon. In this paper, we consider a new kernel CCA algorithm via randomized Kaczmarz method. The main contributions of the paper are: (1) A new kernel CCA algorithm is developed, (2) theoretical convergence of the proposed algorithm is addressed by means of scaled condition number, (3) a lower bound which addresses the minimum number of iterations is presented. We test on both synthetic dataset and several real-world datasets in cross-language document retrieval and content-based image retrieval to demonstrate the effectiveness of the proposed algorithm. Numerical results imply the performance and efficiency of the new algorithm, which is competitive with several state-of-the-art kernel CCA methods. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Kernel-PCA data integration with enhanced interpretability

    PubMed Central

    2014-01-01

    Background Nowadays, combining the different sources of information to improve the biological knowledge available is a challenge in bioinformatics. One of the most powerful methods for integrating heterogeneous data types are kernel-based methods. Kernel-based data integration approaches consist of two basic steps: firstly the right kernel is chosen for each data set; secondly the kernels from the different data sources are combined to give a complete representation of the available data for a given statistical task. Results We analyze the integration of data from several sources of information using kernel PCA, from the point of view of reducing dimensionality. Moreover, we improve the interpretability of kernel PCA by adding to the plot the representation of the input variables that belong to any dataset. In particular, for each input variable or linear combination of input variables, we can represent the direction of maximum growth locally, which allows us to identify those samples with higher/lower values of the variables analyzed. Conclusions The integration of different datasets and the simultaneous representation of samples and variables together give us a better understanding of biological knowledge. PMID:25032747

  14. Anatomical image-guided fluorescence molecular tomography reconstruction using kernel method

    PubMed Central

    Baikejiang, Reheman; Zhao, Yue; Fite, Brett Z.; Ferrara, Katherine W.; Li, Changqing

    2017-01-01

    Abstract. Fluorescence molecular tomography (FMT) is an important in vivo imaging modality to visualize physiological and pathological processes in small animals. However, FMT reconstruction is ill-posed and ill-conditioned due to strong optical scattering in deep tissues, which results in poor spatial resolution. It is well known that FMT image quality can be improved substantially by applying the structural guidance in the FMT reconstruction. An approach to introducing anatomical information into the FMT reconstruction is presented using the kernel method. In contrast to conventional methods that incorporate anatomical information with a Laplacian-type regularization matrix, the proposed method introduces the anatomical guidance into the projection model of FMT. The primary advantage of the proposed method is that it does not require segmentation of targets in the anatomical images. Numerical simulations and phantom experiments have been performed to demonstrate the proposed approach’s feasibility. Numerical simulation results indicate that the proposed kernel method can separate two FMT targets with an edge-to-edge distance of 1 mm and is robust to false-positive guidance and inhomogeneity in the anatomical image. For the phantom experiments with two FMT targets, the kernel method has reconstructed both targets successfully, which further validates the proposed kernel method. PMID:28464120

  15. Effects of sample size on KERNEL home range estimates

    USGS Publications Warehouse

    Seaman, D.E.; Millspaugh, J.J.; Kernohan, Brian J.; Brundige, Gary C.; Raedeke, Kenneth J.; Gitzen, Robert A.

    1999-01-01

    Kernel methods for estimating home range are being used increasingly in wildlife research, but the effect of sample size on their accuracy is not known. We used computer simulations of 10-200 points/home range and compared accuracy of home range estimates produced by fixed and adaptive kernels with the reference (REF) and least-squares cross-validation (LSCV) methods for determining the amount of smoothing. Simulated home ranges varied from simple to complex shapes created by mixing bivariate normal distributions. We used the size of the 95% home range area and the relative mean squared error of the surface fit to assess the accuracy of the kernel home range estimates. For both measures, the bias and variance approached an asymptote at about 50 observations/home range. The fixed kernel with smoothing selected by LSCV provided the least-biased estimates of the 95% home range area. All kernel methods produced similar surface fit for most simulations, but the fixed kernel with LSCV had the lowest frequency and magnitude of very poor estimates. We reviewed 101 papers published in The Journal of Wildlife Management (JWM) between 1980 and 1997 that estimated animal home ranges. A minority of these papers used nonparametric utilization distribution (UD) estimators, and most did not adequately report sample sizes. We recommend that home range studies using kernel estimates use LSCV to determine the amount of smoothing, obtain a minimum of 30 observations per animal (but preferably a?Y50), and report sample sizes in published results.

  16. Development of low-frequency kernel-function aerodynamics for comparison with time-dependent finite-difference methods

    NASA Technical Reports Server (NTRS)

    Bland, S. R.

    1982-01-01

    Finite difference methods for unsteady transonic flow frequency use simplified equations in which certain of the time dependent terms are omitted from the governing equations. Kernel functions are derived for two dimensional subsonic flow, and provide accurate solutions of the linearized potential equation with the same time dependent terms omitted. These solutions make possible a direct evaluation of the finite difference codes for the linear problem. Calculations with two of these low frequency kernel functions verify the accuracy of the LTRAN2 and HYTRAN2 finite difference codes. Comparisons of the low frequency kernel function results with the Possio kernel function solution of the complete linear equations indicate the adequacy of the HYTRAN approximation for frequencies in the range of interest for flutter calculations.

  17. Kernel Wiener filter and its application to pattern recognition.

    PubMed

    Yoshino, Hirokazu; Dong, Chen; Washizawa, Yoshikazu; Yamashita, Yukihiko

    2010-11-01

    The Wiener filter (WF) is widely used for inverse problems. From an observed signal, it provides the best estimated signal with respect to the squared error averaged over the original and the observed signals among linear operators. The kernel WF (KWF), extended directly from WF, has a problem that an additive noise has to be handled by samples. Since the computational complexity of kernel methods depends on the number of samples, a huge computational cost is necessary for the case. By using the first-order approximation of kernel functions, we realize KWF that can handle such a noise not by samples but as a random variable. We also propose the error estimation method for kernel filters by using the approximations. In order to show the advantages of the proposed methods, we conducted the experiments to denoise images and estimate errors. We also apply KWF to classification since KWF can provide an approximated result of the maximum a posteriori classifier that provides the best recognition accuracy. The noise term in the criterion can be used for the classification in the presence of noise or a new regularization to suppress changes in the input space, whereas the ordinary regularization for the kernel method suppresses changes in the feature space. In order to show the advantages of the proposed methods, we conducted experiments of binary and multiclass classifications and classification in the presence of noise.

  18. Nonlinear Deep Kernel Learning for Image Annotation.

    PubMed

    Jiu, Mingyuan; Sahbi, Hichem

    2017-02-08

    Multiple kernel learning (MKL) is a widely used technique for kernel design. Its principle consists in learning, for a given support vector classifier, the most suitable convex (or sparse) linear combination of standard elementary kernels. However, these combinations are shallow and often powerless to capture the actual similarity between highly semantic data, especially for challenging classification tasks such as image annotation. In this paper, we redefine multiple kernels using deep multi-layer networks. In this new contribution, a deep multiple kernel is recursively defined as a multi-layered combination of nonlinear activation functions, each one involves a combination of several elementary or intermediate kernels, and results into a positive semi-definite deep kernel. We propose four different frameworks in order to learn the weights of these networks: supervised, unsupervised, kernel-based semisupervised and Laplacian-based semi-supervised. When plugged into support vector machines (SVMs), the resulting deep kernel networks show clear gain, compared to several shallow kernels for the task of image annotation. Extensive experiments and analysis on the challenging ImageCLEF photo annotation benchmark, the COREL5k database and the Banana dataset validate the effectiveness of the proposed method.

  19. Multineuron spike train analysis with R-convolution linear combination kernel.

    PubMed

    Tezuka, Taro

    2018-06-01

    A spike train kernel provides an effective way of decoding information represented by a spike train. Some spike train kernels have been extended to multineuron spike trains, which are simultaneously recorded spike trains obtained from multiple neurons. However, most of these multineuron extensions were carried out in a kernel-specific manner. In this paper, a general framework is proposed for extending any single-neuron spike train kernel to multineuron spike trains, based on the R-convolution kernel. Special subclasses of the proposed R-convolution linear combination kernel are explored. These subclasses have a smaller number of parameters and make optimization tractable when the size of data is limited. The proposed kernel was evaluated using Gaussian process regression for multineuron spike trains recorded from an animal brain. It was compared with the sum kernel and the population Spikernel, which are existing ways of decoding multineuron spike trains using kernels. The results showed that the proposed approach performs better than these kernels and also other commonly used neural decoding methods. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. Seminal quality prediction using data mining methods.

    PubMed

    Sahoo, Anoop J; Kumar, Yugal

    2014-01-01

    Now-a-days, some new classes of diseases have come into existences which are known as lifestyle diseases. The main reasons behind these diseases are changes in the lifestyle of people such as alcohol drinking, smoking, food habits etc. After going through the various lifestyle diseases, it has been found that the fertility rates (sperm quantity) in men has considerably been decreasing in last two decades. Lifestyle factors as well as environmental factors are mainly responsible for the change in the semen quality. The objective of this paper is to identify the lifestyle and environmental features that affects the seminal quality and also fertility rate in man using data mining methods. The five artificial intelligence techniques such as Multilayer perceptron (MLP), Decision Tree (DT), Navie Bayes (Kernel), Support vector machine+Particle swarm optimization (SVM+PSO) and Support vector machine (SVM) have been applied on fertility dataset to evaluate the seminal quality and also to predict the person is either normal or having altered fertility rate. While the eight feature selection techniques such as support vector machine (SVM), neural network (NN), evolutionary logistic regression (LR), support vector machine plus particle swarm optimization (SVM+PSO), principle component analysis (PCA), chi-square test, correlation and T-test methods have been used to identify more relevant features which affect the seminal quality. These techniques are applied on fertility dataset which contains 100 instances with nine attribute with two classes. The experimental result shows that SVM+PSO provides higher accuracy and area under curve (AUC) rate (94% & 0.932) among multi-layer perceptron (MLP) (92% & 0.728), Support Vector Machines (91% & 0.758), Navie Bayes (Kernel) (89% & 0.850) and Decision Tree (89% & 0.735) for some of the seminal parameters. This paper also focuses on the feature selection process i.e. how to select the features which are more important for prediction of fertility rate. In this paper, eight feature selection methods are applied on fertility dataset to find out a set of good features. The investigational results shows that childish diseases (0.079) and high fever features (0.057) has less impact on fertility rate while age (0.8685), season (0.843), surgical intervention (0.7683), alcohol consumption (0.5992), smoking habit (0.575), number of hours spent on setting (0.4366) and accident (0.5973) features have more impact. It is also observed that feature selection methods increase the accuracy of above mentioned techniques (multilayer perceptron 92%, support vector machine 91%, SVM+PSO 94%, Navie Bayes (Kernel) 89% and decision tree 89%) as compared to without feature selection methods (multilayer perceptron 86%, support vector machine 86%, SVM+PSO 85%, Navie Bayes (Kernel) 83% and decision tree 84%) which shows the applicability of feature selection methods in prediction. This paper lightens the application of artificial techniques in medical domain. From this paper, it can be concluded that data mining methods can be used to predict a person with or without disease based on environmental and lifestyle parameters/features rather than undergoing various medical test. In this paper, five data mining techniques are used to predict the fertility rate and among which SVM+PSO provide more accurate results than support vector machine and decision tree.

  1. Construction of phylogenetic trees by kernel-based comparative analysis of metabolic networks.

    PubMed

    Oh, S June; Joung, Je-Gun; Chang, Jeong-Ho; Zhang, Byoung-Tak

    2006-06-06

    To infer the tree of life requires knowledge of the common characteristics of each species descended from a common ancestor as the measuring criteria and a method to calculate the distance between the resulting values of each measure. Conventional phylogenetic analysis based on genomic sequences provides information about the genetic relationships between different organisms. In contrast, comparative analysis of metabolic pathways in different organisms can yield insights into their functional relationships under different physiological conditions. However, evaluating the similarities or differences between metabolic networks is a computationally challenging problem, and systematic methods of doing this are desirable. Here we introduce a graph-kernel method for computing the similarity between metabolic networks in polynomial time, and use it to profile metabolic pathways and to construct phylogenetic trees. To compare the structures of metabolic networks in organisms, we adopted the exponential graph kernel, which is a kernel-based approach with a labeled graph that includes a label matrix and an adjacency matrix. To construct the phylogenetic trees, we used an unweighted pair-group method with arithmetic mean, i.e., a hierarchical clustering algorithm. We applied the kernel-based network profiling method in a comparative analysis of nine carbohydrate metabolic networks from 81 biological species encompassing Archaea, Eukaryota, and Eubacteria. The resulting phylogenetic hierarchies generally support the tripartite scheme of three domains rather than the two domains of prokaryotes and eukaryotes. By combining the kernel machines with metabolic information, the method infers the context of biosphere development that covers physiological events required for adaptation by genetic reconstruction. The results show that one may obtain a global view of the tree of life by comparing the metabolic pathway structures using meta-level information rather than sequence information. This method may yield further information about biological evolution, such as the history of horizontal transfer of each gene, by studying the detailed structure of the phylogenetic tree constructed by the kernel-based method.

  2. Surface electromyography based muscle fatigue detection using high-resolution time-frequency methods and machine learning algorithms.

    PubMed

    Karthick, P A; Ghosh, Diptasree Maitra; Ramakrishnan, S

    2018-02-01

    Surface electromyography (sEMG) based muscle fatigue research is widely preferred in sports science and occupational/rehabilitation studies due to its noninvasiveness. However, these signals are complex, multicomponent and highly nonstationary with large inter-subject variations, particularly during dynamic contractions. Hence, time-frequency based machine learning methodologies can improve the design of automated system for these signals. In this work, the analysis based on high-resolution time-frequency methods, namely, Stockwell transform (S-transform), B-distribution (BD) and extended modified B-distribution (EMBD) are proposed to differentiate the dynamic muscle nonfatigue and fatigue conditions. The nonfatigue and fatigue segments of sEMG signals recorded from the biceps brachii of 52 healthy volunteers are preprocessed and subjected to S-transform, BD and EMBD. Twelve features are extracted from each method and prominent features are selected using genetic algorithm (GA) and binary particle swarm optimization (BPSO). Five machine learning algorithms, namely, naïve Bayes, support vector machine (SVM) of polynomial and radial basis kernel, random forest and rotation forests are used for the classification. The results show that all the proposed time-frequency distributions (TFDs) are able to show the nonstationary variations of sEMG signals. Most of the features exhibit statistically significant difference in the muscle fatigue and nonfatigue conditions. The maximum number of features (66%) is reduced by GA and BPSO for EMBD and BD-TFD respectively. The combination of EMBD- polynomial kernel based SVM is found to be most accurate (91% accuracy) in classifying the conditions with the features selected using GA. The proposed methods are found to be capable of handling the nonstationary and multicomponent variations of sEMG signals recorded in dynamic fatiguing contractions. Particularly, the combination of EMBD- polynomial kernel based SVM could be used to detect the dynamic muscle fatigue conditions. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Acceptance Test Data for BWXT Coated Particle Batch 93164A Defective IPyC Fraction and Pyrocarbon Anisotropy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Helmreich, Grant W.; Hunn, John D.; Skitt, Darren J.

    2017-02-01

    Coated particle fuel batch J52O-16-93164 was produced by Babcock and Wilcox Technologies (BWXT) for possible selection as fuel for the Advanced Gas Reactor Fuel Development and Qualification (AGR) Program’s AGR-5/6/7 irradiation test in the Idaho National Laboratory (INL) Advanced Test Reactor (ATR), or may be used as demonstration production-scale coated particle fuel for other experiments. The tristructural-isotropic (TRISO) coatings were deposited in a 150-mm-diameter production-scale fluidizedbed chemical vapor deposition (CVD) furnace onto 425-μm-nominal-diameter spherical kernels from BWXT lot J52L-16-69316. Each kernel contained a mixture of 15.5%-enriched uranium carbide and uranium oxide (UCO) and was coated with four consecutive CVD layers:more » a ~50% dense carbon buffer layer with 100-μm-nominal thickness, a dense inner pyrolytic carbon (IPyC) layer with 40-μm-nominal thickness, a silicon carbide (SiC) layer with 35-μm-nominal thickness, and a dense outer pyrolytic carbon (OPyC) layer with 40-μm-nominal thickness. The TRISO-coated particle batch was sieved to upgrade the particles by removing over-sized and under-sized material, and the upgraded batch was designated by appending the letter A to the end of the batch number (i.e., 93164A).« less

  4. Study of the mechanisms for flame stabilization in gas turbine model combustors using kHz laser diagnostics

    NASA Astrophysics Data System (ADS)

    Boxx, Isaac; Carter, Campbell D.; Stöhr, Michael; Meier, Wolfgang

    2013-05-01

    An image-processing routine was developed to autonomously identify and statistically characterize flame-kernel events, wherein OH (from a planar laser-induced fluorescence, PLIF, measurement) appears in the probe region away from the contiguous OH layer. This routine was applied to datasets from two gas turbine model combustors that consist of thousands of joint OH-velocity images from kHz framerate OH-PLIF and particle image velocimetry (PIV). Phase sorting of the kernel centroids with respect to the dominant fluid-dynamic structure of the combustors (a helical precessing vortex core, PVC) indicates through-plane transport of reacting fluid best explains their sudden appearance in the PLIF images. The concentration of flame-kernel events around the periphery of the mean location of the PVC indicates they are likely the result of wrinkling and/or breakup of the primary flame sheet associated with the passage of the PVC as it circumscribes the burner centerline. The prevailing through-plane velocity of the swirling flow-field transports these fragments into the imaging plane of the OH-PLIF system. The lack of flame-kernel events near the center of the PVC (in which there is lower strain and longer fluid-dynamic residence times) indicates that auto-ignition is not a likely explanation for these flame kernels in a majority of cases. The lack of flame-kernel centroid variation in one flame in which there is no PVC further supports this explanation.

  5. Kernel Methods for Mining Instance Data in Ontologies

    NASA Astrophysics Data System (ADS)

    Bloehdorn, Stephan; Sure, York

    The amount of ontologies and meta data available on the Web is constantly growing. The successful application of machine learning techniques for learning of ontologies from textual data, i.e. mining for the Semantic Web, contributes to this trend. However, no principal approaches exist so far for mining from the Semantic Web. We investigate how machine learning algorithms can be made amenable for directly taking advantage of the rich knowledge expressed in ontologies and associated instance data. Kernel methods have been successfully employed in various learning tasks and provide a clean framework for interfacing between non-vectorial data and machine learning algorithms. In this spirit, we express the problem of mining instances in ontologies as the problem of defining valid corresponding kernels. We present a principled framework for designing such kernels by means of decomposing the kernel computation into specialized kernels for selected characteristics of an ontology which can be flexibly assembled and tuned. Initial experiments on real world Semantic Web data enjoy promising results and show the usefulness of our approach.

  6. a Comparison Study of Different Kernel Functions for Svm-Based Classification of Multi-Temporal Polarimetry SAR Data

    NASA Astrophysics Data System (ADS)

    Yekkehkhany, B.; Safari, A.; Homayouni, S.; Hasanlou, M.

    2014-10-01

    In this paper, a framework is developed based on Support Vector Machines (SVM) for crop classification using polarimetric features extracted from multi-temporal Synthetic Aperture Radar (SAR) imageries. The multi-temporal integration of data not only improves the overall retrieval accuracy but also provides more reliable estimates with respect to single-date data. Several kernel functions are employed and compared in this study for mapping the input space to higher Hilbert dimension space. These kernel functions include linear, polynomials and Radial Based Function (RBF). The method is applied to several UAVSAR L-band SAR images acquired over an agricultural area near Winnipeg, Manitoba, Canada. In this research, the temporal alpha features of H/A/α decomposition method are used in classification. The experimental tests show an SVM classifier with RBF kernel for three dates of data increases the Overall Accuracy (OA) to up to 3% in comparison to using linear kernel function, and up to 1% in comparison to a 3rd degree polynomial kernel function.

  7. Aveiro method in reproducing kernel Hilbert spaces under complete dictionary

    NASA Astrophysics Data System (ADS)

    Mai, Weixiong; Qian, Tao

    2017-12-01

    Aveiro Method is a sparse representation method in reproducing kernel Hilbert spaces (RKHS) that gives orthogonal projections in linear combinations of reproducing kernels over uniqueness sets. It, however, suffers from determination of uniqueness sets in the underlying RKHS. In fact, in general spaces, uniqueness sets are not easy to be identified, let alone the convergence speed aspect with Aveiro Method. To avoid those difficulties we propose an anew Aveiro Method based on a dictionary and the matching pursuit idea. What we do, in fact, are more: The new Aveiro method will be in relation to the recently proposed, the so called Pre-Orthogonal Greedy Algorithm (P-OGA) involving completion of a given dictionary. The new method is called Aveiro Method Under Complete Dictionary (AMUCD). The complete dictionary consists of all directional derivatives of the underlying reproducing kernels. We show that, under the boundary vanishing condition, bring available for the classical Hardy and Paley-Wiener spaces, the complete dictionary enables an efficient expansion of any given element in the Hilbert space. The proposed method reveals new and advanced aspects in both the Aveiro Method and the greedy algorithm.

  8. Learning a peptide-protein binding affinity predictor with kernel ridge regression

    PubMed Central

    2013-01-01

    Background The cellular function of a vast majority of proteins is performed through physical interactions with other biomolecules, which, most of the time, are other proteins. Peptides represent templates of choice for mimicking a secondary structure in order to modulate protein-protein interaction. They are thus an interesting class of therapeutics since they also display strong activity, high selectivity, low toxicity and few drug-drug interactions. Furthermore, predicting peptides that would bind to a specific MHC alleles would be of tremendous benefit to improve vaccine based therapy and possibly generate antibodies with greater affinity. Modern computational methods have the potential to accelerate and lower the cost of drug and vaccine discovery by selecting potential compounds for testing in silico prior to biological validation. Results We propose a specialized string kernel for small bio-molecules, peptides and pseudo-sequences of binding interfaces. The kernel incorporates physico-chemical properties of amino acids and elegantly generalizes eight kernels, comprised of the Oligo, the Weighted Degree, the Blended Spectrum, and the Radial Basis Function. We provide a low complexity dynamic programming algorithm for the exact computation of the kernel and a linear time algorithm for it’s approximation. Combined with kernel ridge regression and SupCK, a novel binding pocket kernel, the proposed kernel yields biologically relevant and good prediction accuracy on the PepX database. For the first time, a machine learning predictor is capable of predicting the binding affinity of any peptide to any protein with reasonable accuracy. The method was also applied to both single-target and pan-specific Major Histocompatibility Complex class II benchmark datasets and three Quantitative Structure Affinity Model benchmark datasets. Conclusion On all benchmarks, our method significantly (p-value ≤ 0.057) outperforms the current state-of-the-art methods at predicting peptide-protein binding affinities. The proposed approach is flexible and can be applied to predict any quantitative biological activity. Moreover, generating reliable peptide-protein binding affinities will also improve system biology modelling of interaction pathways. Lastly, the method should be of value to a large segment of the research community with the potential to accelerate the discovery of peptide-based drugs and facilitate vaccine development. The proposed kernel is freely available at http://graal.ift.ulaval.ca/downloads/gs-kernel/. PMID:23497081

  9. Application of Tools to Measure PCB Microbial Dechlorination and Flux into Water During In-situ Treatment of Sediments

    DTIC Science & Technology

    2011-08-01

    flocs within a radius of 2 flocs’ centerline would be intercepted by the settling particle . The curvilinear kernel assumes only smaller particle hit...Aerobic Sediment Slurry……………………………………………………………...11 Study 4. Modeling the Impact of Flocculation on the Fate of Organic and Inorganic Particles ...suspended particles at the beginning of free settling period………....………46 Figure 4.2: Three fOC distribution trends: small, uniform, and size-variable

  10. A fast and objective multidimensional kernel density estimation method: fastKDE

    DOE PAGES

    O'Brien, Travis A.; Kashinath, Karthik; Cavanaugh, Nicholas R.; ...

    2016-03-07

    Numerous facets of scientific research implicitly or explicitly call for the estimation of probability densities. Histograms and kernel density estimates (KDEs) are two commonly used techniques for estimating such information, with the KDE generally providing a higher fidelity representation of the probability density function (PDF). Both methods require specification of either a bin width or a kernel bandwidth. While techniques exist for choosing the kernel bandwidth optimally and objectively, they are computationally intensive, since they require repeated calculation of the KDE. A solution for objectively and optimally choosing both the kernel shape and width has recently been developed by Bernacchiamore » and Pigolotti (2011). While this solution theoretically applies to multidimensional KDEs, it has not been clear how to practically do so. A method for practically extending the Bernacchia-Pigolotti KDE to multidimensions is introduced. This multidimensional extension is combined with a recently-developed computational improvement to their method that makes it computationally efficient: a 2D KDE on 10 5 samples only takes 1 s on a modern workstation. This fast and objective KDE method, called the fastKDE method, retains the excellent statistical convergence properties that have been demonstrated for univariate samples. The fastKDE method exhibits statistical accuracy that is comparable to state-of-the-science KDE methods publicly available in R, and it produces kernel density estimates several orders of magnitude faster. The fastKDE method does an excellent job of encoding covariance information for bivariate samples. This property allows for direct calculation of conditional PDFs with fastKDE. It is demonstrated how this capability might be leveraged for detecting non-trivial relationships between quantities in physical systems, such as transitional behavior.« less

  11. Using Adjoint Methods to Improve 3-D Velocity Models of Southern California

    NASA Astrophysics Data System (ADS)

    Liu, Q.; Tape, C.; Maggi, A.; Tromp, J.

    2006-12-01

    We use adjoint methods popular in climate and ocean dynamics to calculate Fréchet derivatives for tomographic inversions in southern California. The Fréchet derivative of an objective function χ(m), where m denotes the Earth model, may be written in the generic form δχ=int Km(x) δln m(x) d3x, where δln m=δ m/m denotes the relative model perturbation. For illustrative purposes, we construct the 3-D finite-frequency banana-doughnut kernel Km, corresponding to the misfit of a single traveltime measurement, by simultaneously computing the 'adjoint' wave field s† forward in time and reconstructing the regular wave field s backward in time. The adjoint wave field is produced by using the time-reversed velocity at the receiver as a fictitious source, while the regular wave field is reconstructed on the fly by propagating the last frame of the wave field saved by a previous forward simulation backward in time. The approach is based upon the spectral-element method, and only two simulations are needed to produce density, shear-wave, and compressional-wave sensitivity kernels. This method is applied to the SCEC southern California velocity model. Various density, shear-wave, and compressional-wave sensitivity kernels are presented for different phases in the seismograms. We also generate 'event' kernels for Pnl, S and surface waves, which are the Fréchet kernels of misfit functions that measure the P, S or surface wave traveltime residuals at all the receivers simultaneously for one particular event. Effectively, an event kernel is a sum of weighted Fréchet kernels, with weights determined by the associated traveltime anomalies. By the nature of the 3-D simulation, every event kernel is also computed based upon just two simulations, i.e., its construction costs the same amount of computation time as an individual banana-doughnut kernel. One can think of the sum of the event kernels for all available earthquakes, called the 'misfit' kernel, as a graphical representation of the gradient of the misfit function. With the capability of computing both the value of the misfit function and its gradient, which assimilates the traveltime anomalies, we are ready to use a non-linear conjugate gradient algorithm to iteratively improve velocity models of southern California.

  12. Unified Heat Kernel Regression for Diffusion, Kernel Smoothing and Wavelets on Manifolds and Its Application to Mandible Growth Modeling in CT Images

    PubMed Central

    Chung, Moo K.; Qiu, Anqi; Seo, Seongho; Vorperian, Houri K.

    2014-01-01

    We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel regression is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. Unlike many previous partial differential equation based approaches involving diffusion, our approach represents the solution of diffusion analytically, reducing numerical inaccuracy and slow convergence. The numerical implementation is validated on a unit sphere using spherical harmonics. As an illustration, we have applied the method in characterizing the localized growth pattern of mandible surfaces obtained in CT images from subjects between ages 0 and 20 years by regressing the length of displacement vectors with respect to the template surface. PMID:25791435

  13. Research on offense and defense technology for iOS kernel security mechanism

    NASA Astrophysics Data System (ADS)

    Chu, Sijun; Wu, Hao

    2018-04-01

    iOS is a strong and widely used mobile device system. It's annual profits make up about 90% of the total profits of all mobile phone brands. Though it is famous for its security, there have been many attacks on the iOS operating system, such as the Trident apt attack in 2016. So it is important to research the iOS security mechanism and understand its weaknesses and put forward targeted protection and security check framework. By studying these attacks and previous jailbreak tools, we can see that an attacker could only run a ROP code and gain kernel read and write permissions based on the ROP after exploiting kernel and user layer vulnerabilities. However, the iOS operating system is still protected by the code signing mechanism, the sandbox mechanism, and the not-writable mechanism of the system's disk area. This is far from the steady, long-lasting control that attackers expect. Before iOS 9, breaking these security mechanisms was usually done by modifying the kernel's important data structures and security mechanism code logic. However, after iOS 9, the kernel integrity protection mechanism was added to the 64-bit operating system and none of the previous methods were adapted to the new versions of iOS [1]. But this does not mean that attackers can not break through. Therefore, based on the analysis of the vulnerability of KPP security mechanism, this paper implements two possible breakthrough methods for kernel security mechanism for iOS9 and iOS10. Meanwhile, we propose a defense method based on kernel integrity detection and sensitive API call detection to defense breakthrough method mentioned above. And we make experiments to prove that this method can prevent and detect attack attempts or invaders effectively and timely.

  14. Design of a multiple kernel learning algorithm for LS-SVM by convex programming.

    PubMed

    Jian, Ling; Xia, Zhonghang; Liang, Xijun; Gao, Chuanhou

    2011-06-01

    As a kernel based method, the performance of least squares support vector machine (LS-SVM) depends on the selection of the kernel as well as the regularization parameter (Duan, Keerthi, & Poo, 2003). Cross-validation is efficient in selecting a single kernel and the regularization parameter; however, it suffers from heavy computational cost and is not flexible to deal with multiple kernels. In this paper, we address the issue of multiple kernel learning for LS-SVM by formulating it as semidefinite programming (SDP). Furthermore, we show that the regularization parameter can be optimized in a unified framework with the kernel, which leads to an automatic process for model selection. Extensive experimental validations are performed and analyzed. Copyright © 2011 Elsevier Ltd. All rights reserved.

  15. Convergence studies in meshfree peridynamic simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Seleson, Pablo; Littlewood, David J.

    2016-04-15

    Meshfree methods are commonly applied to discretize peridynamic models, particularly in numerical simulations of engineering problems. Such methods discretize peridynamic bodies using a set of nodes with characteristic volume, leading to particle-based descriptions of systems. In this article, we perform convergence studies of static peridynamic problems. We show that commonly used meshfree methods in peridynamics suffer from accuracy and convergence issues, due to a rough approximation of the contribution to the internal force density of nodes near the boundary of the neighborhood of a given node. We propose two methods to improve meshfree peridynamic simulations. The first method uses accuratemore » computations of volumes of intersections between neighbor cells and the neighborhood of a given node, referred to as partial volumes. The second method employs smooth influence functions with a finite support within peridynamic kernels. Numerical results demonstrate great improvements in accuracy and convergence of peridynamic numerical solutions, when using the proposed methods.« less

  16. Design of k-Space Channel Combination Kernels and Integration with Parallel Imaging

    PubMed Central

    Beatty, Philip J.; Chang, Shaorong; Holmes, James H.; Wang, Kang; Brau, Anja C. S.; Reeder, Scott B.; Brittain, Jean H.

    2014-01-01

    Purpose In this work, a new method is described for producing local k-space channel combination kernels using a small amount of low-resolution multichannel calibration data. Additionally, this work describes how these channel combination kernels can be combined with local k-space unaliasing kernels produced by the calibration phase of parallel imaging methods such as GRAPPA, PARS and ARC. Methods Experiments were conducted to evaluate both the image quality and computational efficiency of the proposed method compared to a channel-by-channel parallel imaging approach with image-space sum-of-squares channel combination. Results Results indicate comparable image quality overall, with some very minor differences seen in reduced field-of-view imaging. It was demonstrated that this method enables a speed up in computation time on the order of 3–16X for 32-channel data sets. Conclusion The proposed method enables high quality channel combination to occur earlier in the reconstruction pipeline, reducing computational and memory requirements for image reconstruction. PMID:23943602

  17. High speed sorting of Fusarium-damaged wheat kernels

    USDA-ARS?s Scientific Manuscript database

    Recent studies have found that resistance to Fusarium fungal infection can be inherited in wheat from one generation to another. However, there is not yet available a cost effective method to separate Fusarium-damaged wheat kernels from undamaged kernels so that wheat breeders can take advantage of...

  18. Fine Mapping and Introgressing a Fissure Resistance Locus

    USDA-ARS?s Scientific Manuscript database

    Rice (Oryza sativa L.) kernel fissuring is a major concern of both rice producers and millers. Fissures are small cracks in rice kernels that increase breakage among kernels when transported or milled, which decrease the value of processed rice. This study employed molecular gene tagging methods to ...

  19. Weighted Feature Gaussian Kernel SVM for Emotion Recognition

    PubMed Central

    Jia, Qingxuan

    2016-01-01

    Emotion recognition with weighted feature based on facial expression is a challenging research topic and has attracted great attention in the past few years. This paper presents a novel method, utilizing subregion recognition rate to weight kernel function. First, we divide the facial expression image into some uniform subregions and calculate corresponding recognition rate and weight. Then, we get a weighted feature Gaussian kernel function and construct a classifier based on Support Vector Machine (SVM). At last, the experimental results suggest that the approach based on weighted feature Gaussian kernel function has good performance on the correct rate in emotion recognition. The experiments on the extended Cohn-Kanade (CK+) dataset show that our method has achieved encouraging recognition results compared to the state-of-the-art methods. PMID:27807443

  20. DNA sequence+shape kernel enables alignment-free modeling of transcription factor binding.

    PubMed

    Ma, Wenxiu; Yang, Lin; Rohs, Remo; Noble, William Stafford

    2017-10-01

    Transcription factors (TFs) bind to specific DNA sequence motifs. Several lines of evidence suggest that TF-DNA binding is mediated in part by properties of the local DNA shape: the width of the minor groove, the relative orientations of adjacent base pairs, etc. Several methods have been developed to jointly account for DNA sequence and shape properties in predicting TF binding affinity. However, a limitation of these methods is that they typically require a training set of aligned TF binding sites. We describe a sequence + shape kernel that leverages DNA sequence and shape information to better understand protein-DNA binding preference and affinity. This kernel extends an existing class of k-mer based sequence kernels, based on the recently described di-mismatch kernel. Using three in vitro benchmark datasets, derived from universal protein binding microarrays (uPBMs), genomic context PBMs (gcPBMs) and SELEX-seq data, we demonstrate that incorporating DNA shape information improves our ability to predict protein-DNA binding affinity. In particular, we observe that (i) the k-spectrum + shape model performs better than the classical k-spectrum kernel, particularly for small k values; (ii) the di-mismatch kernel performs better than the k-mer kernel, for larger k; and (iii) the di-mismatch + shape kernel performs better than the di-mismatch kernel for intermediate k values. The software is available at https://bitbucket.org/wenxiu/sequence-shape.git. rohs@usc.edu or william-noble@uw.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

  1. A trace ratio maximization approach to multiple kernel-based dimensionality reduction.

    PubMed

    Jiang, Wenhao; Chung, Fu-lai

    2014-01-01

    Most dimensionality reduction techniques are based on one metric or one kernel, hence it is necessary to select an appropriate kernel for kernel-based dimensionality reduction. Multiple kernel learning for dimensionality reduction (MKL-DR) has been recently proposed to learn a kernel from a set of base kernels which are seen as different descriptions of data. As MKL-DR does not involve regularization, it might be ill-posed under some conditions and consequently its applications are hindered. This paper proposes a multiple kernel learning framework for dimensionality reduction based on regularized trace ratio, termed as MKL-TR. Our method aims at learning a transformation into a space of lower dimension and a corresponding kernel from the given base kernels among which some may not be suitable for the given data. The solutions for the proposed framework can be found based on trace ratio maximization. The experimental results demonstrate its effectiveness in benchmark datasets, which include text, image and sound datasets, for supervised, unsupervised as well as semi-supervised settings. Copyright © 2013 Elsevier Ltd. All rights reserved.

  2. Distributed smoothed tree kernel for protein-protein interaction extraction from the biomedical literature

    PubMed Central

    Murugesan, Gurusamy; Abdulkadhar, Sabenabanu; Natarajan, Jeyakumar

    2017-01-01

    Automatic extraction of protein-protein interaction (PPI) pairs from biomedical literature is a widely examined task in biological information extraction. Currently, many kernel based approaches such as linear kernel, tree kernel, graph kernel and combination of multiple kernels has achieved promising results in PPI task. However, most of these kernel methods fail to capture the semantic relation information between two entities. In this paper, we present a special type of tree kernel for PPI extraction which exploits both syntactic (structural) and semantic vectors information known as Distributed Smoothed Tree kernel (DSTK). DSTK comprises of distributed trees with syntactic information along with distributional semantic vectors representing semantic information of the sentences or phrases. To generate robust machine learning model composition of feature based kernel and DSTK were combined using ensemble support vector machine (SVM). Five different corpora (AIMed, BioInfer, HPRD50, IEPA, and LLL) were used for evaluating the performance of our system. Experimental results show that our system achieves better f-score with five different corpora compared to other state-of-the-art systems. PMID:29099838

  3. Distributed smoothed tree kernel for protein-protein interaction extraction from the biomedical literature.

    PubMed

    Murugesan, Gurusamy; Abdulkadhar, Sabenabanu; Natarajan, Jeyakumar

    2017-01-01

    Automatic extraction of protein-protein interaction (PPI) pairs from biomedical literature is a widely examined task in biological information extraction. Currently, many kernel based approaches such as linear kernel, tree kernel, graph kernel and combination of multiple kernels has achieved promising results in PPI task. However, most of these kernel methods fail to capture the semantic relation information between two entities. In this paper, we present a special type of tree kernel for PPI extraction which exploits both syntactic (structural) and semantic vectors information known as Distributed Smoothed Tree kernel (DSTK). DSTK comprises of distributed trees with syntactic information along with distributional semantic vectors representing semantic information of the sentences or phrases. To generate robust machine learning model composition of feature based kernel and DSTK were combined using ensemble support vector machine (SVM). Five different corpora (AIMed, BioInfer, HPRD50, IEPA, and LLL) were used for evaluating the performance of our system. Experimental results show that our system achieves better f-score with five different corpora compared to other state-of-the-art systems.

  4. DUAL STATE-PARAMETER UPDATING SCHEME ON A CONCEPTUAL HYDROLOGIC MODEL USING SEQUENTIAL MONTE CARLO FILTERS

    NASA Astrophysics Data System (ADS)

    Noh, Seong Jin; Tachikawa, Yasuto; Shiiba, Michiharu; Kim, Sunmin

    Applications of data assimilation techniques have been widely used to improve upon the predictability of hydrologic modeling. Among various data assimilation techniques, sequential Monte Carlo (SMC) filters, known as "particle filters" provide the capability to handle non-linear and non-Gaussian state-space models. This paper proposes a dual state-parameter updating scheme (DUS) based on SMC methods to estimate both state and parameter variables of a hydrologic model. We introduce a kernel smoothing method for the robust estimation of uncertain model parameters in the DUS. The applicability of the dual updating scheme is illustrated using the implementation of the storage function model on a middle-sized Japanese catchment. We also compare performance results of DUS combined with various SMC methods, such as SIR, ASIR and RPF.

  5. A nonlinear quality-related fault detection approach based on modified kernel partial least squares.

    PubMed

    Jiao, Jianfang; Zhao, Ning; Wang, Guang; Yin, Shen

    2017-01-01

    In this paper, a new nonlinear quality-related fault detection method is proposed based on kernel partial least squares (KPLS) model. To deal with the nonlinear characteristics among process variables, the proposed method maps these original variables into feature space in which the linear relationship between kernel matrix and output matrix is realized by means of KPLS. Then the kernel matrix is decomposed into two orthogonal parts by singular value decomposition (SVD) and the statistics for each part are determined appropriately for the purpose of quality-related fault detection. Compared with relevant existing nonlinear approaches, the proposed method has the advantages of simple diagnosis logic and stable performance. A widely used literature example and an industrial process are used for the performance evaluation for the proposed method. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

  6. Volterra series truncation and kernel estimation of nonlinear systems in the frequency domain

    NASA Astrophysics Data System (ADS)

    Zhang, B.; Billings, S. A.

    2017-02-01

    The Volterra series model is a direct generalisation of the linear convolution integral and is capable of displaying the intrinsic features of a nonlinear system in a simple and easy to apply way. Nonlinear system analysis using Volterra series is normally based on the analysis of its frequency-domain kernels and a truncated description. But the estimation of Volterra kernels and the truncation of Volterra series are coupled with each other. In this paper, a novel complex-valued orthogonal least squares algorithm is developed. The new algorithm provides a powerful tool to determine which terms should be included in the Volterra series expansion and to estimate the kernels and thus solves the two problems all together. The estimated results are compared with those determined using the analytical expressions of the kernels to validate the method. To further evaluate the effectiveness of the method, the physical parameters of the system are also extracted from the measured kernels. Simulation studies demonstrates that the new approach not only can truncate the Volterra series expansion and estimate the kernels of a weakly nonlinear system, but also can indicate the applicability of the Volterra series analysis in a severely nonlinear system case.

  7. On supervised graph Laplacian embedding CA model & kernel construction and its application

    NASA Astrophysics Data System (ADS)

    Zeng, Junwei; Qian, Yongsheng; Wang, Min; Yang, Yongzhong

    2017-01-01

    There are many methods to construct kernel with given data attribute information. Gaussian radial basis function (RBF) kernel is one of the most popular ways to construct a kernel. The key observation is that in real-world data, besides the data attribute information, data label information also exists, which indicates the data class. In order to make use of both data attribute information and data label information, in this work, we propose a supervised kernel construction method. Supervised information from training data is integrated into standard kernel construction process to improve the discriminative property of resulting kernel. A supervised Laplacian embedding cellular automaton model is another key application developed for two-lane heterogeneous traffic flow with the safe distance and large-scale truck. Based on the properties of traffic flow in China, we re-calibrate the cell length, velocity, random slowing mechanism and lane-change conditions and use simulation tests to study the relationships among the speed, density and flux. The numerical results show that the large-scale trucks will have great effects on the traffic flow, which are relevant to the proportion of the large-scale trucks, random slowing rate and the times of the lane space change.

  8. Scuba: scalable kernel-based gene prioritization.

    PubMed

    Zampieri, Guido; Tran, Dinh Van; Donini, Michele; Navarin, Nicolò; Aiolli, Fabio; Sperduti, Alessandro; Valle, Giorgio

    2018-01-25

    The uncovering of genes linked to human diseases is a pressing challenge in molecular biology and precision medicine. This task is often hindered by the large number of candidate genes and by the heterogeneity of the available information. Computational methods for the prioritization of candidate genes can help to cope with these problems. In particular, kernel-based methods are a powerful resource for the integration of heterogeneous biological knowledge, however, their practical implementation is often precluded by their limited scalability. We propose Scuba, a scalable kernel-based method for gene prioritization. It implements a novel multiple kernel learning approach, based on a semi-supervised perspective and on the optimization of the margin distribution. Scuba is optimized to cope with strongly unbalanced settings where known disease genes are few and large scale predictions are required. Importantly, it is able to efficiently deal both with a large amount of candidate genes and with an arbitrary number of data sources. As a direct consequence of scalability, Scuba integrates also a new efficient strategy to select optimal kernel parameters for each data source. We performed cross-validation experiments and simulated a realistic usage setting, showing that Scuba outperforms a wide range of state-of-the-art methods. Scuba achieves state-of-the-art performance and has enhanced scalability compared to existing kernel-based approaches for genomic data. This method can be useful to prioritize candidate genes, particularly when their number is large or when input data is highly heterogeneous. The code is freely available at https://github.com/gzampieri/Scuba .

  9. Cross-domain question classification in community question answering via kernel mapping

    NASA Astrophysics Data System (ADS)

    Su, Lei; Hu, Zuoliang; Yang, Bin; Li, Yiyang; Chen, Jun

    2015-10-01

    An increasingly popular method for retrieving information is via the community question answering (CQA) systems such as Yahoo! Answers and Baidu Knows. In CQA, question classification plays an important role to find the answers. However, the labeled training examples for statistical question classifier are fairly expensive to obtain, as they require the experienced human efforts. Meanwhile, unlabeled data are readily available. This paper employs the method of domain adaptation via kernel mapping to solve this problem. In detail, the kernel approach is utilized to map the target-domain data and the source-domain data into a common space, where the question classifiers are trained under the closer conditional probabilities. The kernel mapping function is constructed by domain knowledge. Therefore, domain knowledge could be transferred from the labeled examples in the source domain to the unlabeled ones in the targeted domain. The statistical training model can be improved by using a large number of unlabeled data. Meanwhile, the Hadoop Platform is used to construct the mapping mechanism to reduce the time complexity. Map/Reduce enable kernel mapping for domain adaptation in parallel in the Hadoop Platform. Experimental results show that the accuracy of question classification could be improved by the method of kernel mapping. Furthermore, the parallel method in the Hadoop Platform could effective schedule the computing resources to reduce the running time.

  10. Difference in postprandial GLP-1 response despite similar glucose kinetics after consumption of wheat breads with different particle size in healthy men.

    PubMed

    Eelderink, Coby; Noort, Martijn W J; Sozer, Nesli; Koehorst, Martijn; Holst, Jens J; Deacon, Carolyn F; Rehfeld, Jens F; Poutanen, Kaisa; Vonk, Roel J; Oudhuis, Lizette; Priebe, Marion G

    2017-04-01

    Underlying mechanisms of the beneficial health effects of low glycemic index starchy foods are not fully elucidated yet. We varied the wheat particle size to obtain fiber-rich breads with a high and low glycemic response and investigated the differences in postprandial glucose kinetics and metabolic response after their consumption. Ten healthy male volunteers participated in a randomized, crossover study, consuming 13 C-enriched breads with different structures; a control bread (CB) made from wheat flour combined with wheat bran, and a kernel bread (KB) where 85 % of flour was substituted with broken wheat kernels. The structure of the breads was characterized extensively. The use of stable isotopes enabled calculation of glucose kinetics: rate of appearance of exogenous glucose, endogenous glucose production, and glucose clearance rate. Additionally, postprandial plasma concentrations of glucose, insulin, glucagon, incretins, cholecystokinin, and bile acids were analyzed. Despite the attempt to obtain a bread with a low glycemic response by replacing flour by broken kernels, the glycemic response and glucose kinetics were quite similar after consumption of CB and KB. Interestingly, the glucagon-like peptide-1 (GLP-1) response was much lower after KB compared to CB (iAUC, P < 0.005). A clear postprandial increase in plasma conjugated bile acids was observed after both meals. Substitution of 85 % wheat flour by broken kernels in bread did not result in a difference in glucose response and kinetics, but in a pronounced difference in GLP-1 response. Thus, changing the processing conditions of wheat for baking bread can influence the metabolic response beyond glycemia and may therefore influence health.

  11. Approximate kernel competitive learning.

    PubMed

    Wu, Jian-Sheng; Zheng, Wei-Shi; Lai, Jian-Huang

    2015-03-01

    Kernel competitive learning has been successfully used to achieve robust clustering. However, kernel competitive learning (KCL) is not scalable for large scale data processing, because (1) it has to calculate and store the full kernel matrix that is too large to be calculated and kept in the memory and (2) it cannot be computed in parallel. In this paper we develop a framework of approximate kernel competitive learning for processing large scale dataset. The proposed framework consists of two parts. First, it derives an approximate kernel competitive learning (AKCL), which learns kernel competitive learning in a subspace via sampling. We provide solid theoretical analysis on why the proposed approximation modelling would work for kernel competitive learning, and furthermore, we show that the computational complexity of AKCL is largely reduced. Second, we propose a pseudo-parallelled approximate kernel competitive learning (PAKCL) based on a set-based kernel competitive learning strategy, which overcomes the obstacle of using parallel programming in kernel competitive learning and significantly accelerates the approximate kernel competitive learning for large scale clustering. The empirical evaluation on publicly available datasets shows that the proposed AKCL and PAKCL can perform comparably as KCL, with a large reduction on computational cost. Also, the proposed methods achieve more effective clustering performance in terms of clustering precision against related approximate clustering approaches. Copyright © 2014 Elsevier Ltd. All rights reserved.

  12. New developments of the Extended Quadrature Method of Moments to solve Population Balance Equations

    NASA Astrophysics Data System (ADS)

    Pigou, Maxime; Morchain, Jérôme; Fede, Pascal; Penet, Marie-Isabelle; Laronze, Geoffrey

    2018-07-01

    Population Balance Models have a wide range of applications in many industrial fields as they allow accounting for heterogeneity among properties which are crucial for some system modelling. They actually describe the evolution of a Number Density Function (NDF) using a Population Balance Equation (PBE). For instance, they are applied to gas-liquid columns or stirred reactors, aerosol technology, crystallisation processes, fine particles or biological systems. There is a significant interest for fast, stable and accurate numerical methods in order to solve for PBEs, a class of such methods actually does not solve directly the NDF but resolves their moments. These methods of moments, and in particular quadrature-based methods of moments, have been successfully applied to a variety of systems. Point-wise values of the NDF are sometimes required but are not directly accessible from the moments. To address these issues, the Extended Quadrature Method of Moments (EQMOM) has been developed in the past few years and approximates the NDF, from its moments, as a convex mixture of Kernel Density Functions (KDFs) of the same parametric family. In the present work EQMOM is further developed on two aspects. The main one is a significant improvement of the core iterative procedure of that method, the corresponding reduction of its computational cost is estimated to range from 60% up to 95%. The second aspect is an extension of EQMOM to two new KDFs used for the approximation, the Weibull and the Laplace kernels. All MATLAB source codes used for this article are provided with this article.

  13. Error and Complexity Analysis for a Collocation-Grid-Projection Plus Precorrected-FFT Algorithm for Solving Potential Integral Equations with LaPlace or Helmholtz Kernels

    NASA Technical Reports Server (NTRS)

    Phillips, J. R.

    1996-01-01

    In this paper we derive error bounds for a collocation-grid-projection scheme tuned for use in multilevel methods for solving boundary-element discretizations of potential integral equations. The grid-projection scheme is then combined with a precorrected FFT style multilevel method for solving potential integral equations with 1/r and e(sup ikr)/r kernels. A complexity analysis of this combined method is given to show that for homogeneous problems, the method is order n natural log n nearly independent of the kernel. In addition, it is shown analytically and experimentally that for an inhomogeneity generated by a very finely discretized surface, the combined method slows to order n(sup 4/3). Finally, examples are given to show that the collocation-based grid-projection plus precorrected-FFT scheme is competitive with fast-multipole algorithms when considering realistic problems and 1/r kernels, but can be used over a range of spatial frequencies with only a small performance penalty.

  14. Automatic classification of retinal three-dimensional optical coherence tomography images using principal component analysis network with composite kernels

    NASA Astrophysics Data System (ADS)

    Fang, Leyuan; Wang, Chong; Li, Shutao; Yan, Jun; Chen, Xiangdong; Rabbani, Hossein

    2017-11-01

    We present an automatic method, termed as the principal component analysis network with composite kernel (PCANet-CK), for the classification of three-dimensional (3-D) retinal optical coherence tomography (OCT) images. Specifically, the proposed PCANet-CK method first utilizes the PCANet to automatically learn features from each B-scan of the 3-D retinal OCT images. Then, multiple kernels are separately applied to a set of very important features of the B-scans and these kernels are fused together, which can jointly exploit the correlations among features of the 3-D OCT images. Finally, the fused (composite) kernel is incorporated into an extreme learning machine for the OCT image classification. We tested our proposed algorithm on two real 3-D spectral domain OCT (SD-OCT) datasets (of normal subjects and subjects with the macular edema and age-related macular degeneration), which demonstrated its effectiveness.

  15. Tocochromanols composition in kernels recovered from different apricot varieties: RP-HPLC/FLD and RP-UPLC-ESI/MS(n) study.

    PubMed

    Górnaś, Paweł; Mišina, Inga; Grāvīte, Ilze; Soliven, Arianne; Kaufmane, Edīte; Segliņa, Dalija

    2015-01-01

    Composition of tocochromanols in kernels recovered from 16 different apricot varieties (Prunus armeniaca L.) was studied. Three tocopherol (T) homologues, namely α, γ and δ, were quantified in all tested samples by an RP-HPLC/FLD method. The γ-T was the main tocopherol homologue identified in apricot kernels and constituted approximately 93% of total detected tocopherols. The RP-UPLC-ESI/MS(n) method detected trace amounts of two tocotrienol homologues α and γ in the apricot kernels. The concentration of individual tocopherol homologues in kernels of different apricots varieties, expressed in mg/100 g dwb, was in the following range: 1.38-4.41 (α-T), 42.48-73.27 (γ-T) and 0.77-2.09 (δ-T). Moreover, the ratio between individual tocopherol homologues α:γ:δ was nearly constant in all varieties and amounted to approximately 2:39:1.

  16. Application of kernel functions for accurate similarity search in large chemical databases.

    PubMed

    Wang, Xiaohong; Huan, Jun; Smalter, Aaron; Lushington, Gerald H

    2010-04-29

    Similarity search in chemical structure databases is an important problem with many applications in chemical genomics, drug design, and efficient chemical probe screening among others. It is widely believed that structure based methods provide an efficient way to do the query. Recently various graph kernel functions have been designed to capture the intrinsic similarity of graphs. Though successful in constructing accurate predictive and classification models, graph kernel functions can not be applied to large chemical compound database due to the high computational complexity and the difficulties in indexing similarity search for large databases. To bridge graph kernel function and similarity search in chemical databases, we applied a novel kernel-based similarity measurement, developed in our team, to measure similarity of graph represented chemicals. In our method, we utilize a hash table to support new graph kernel function definition, efficient storage and fast search. We have applied our method, named G-hash, to large chemical databases. Our results show that the G-hash method achieves state-of-the-art performance for k-nearest neighbor (k-NN) classification. Moreover, the similarity measurement and the index structure is scalable to large chemical databases with smaller indexing size, and faster query processing time as compared to state-of-the-art indexing methods such as Daylight fingerprints, C-tree and GraphGrep. Efficient similarity query processing method for large chemical databases is challenging since we need to balance running time efficiency and similarity search accuracy. Our previous similarity search method, G-hash, provides a new way to perform similarity search in chemical databases. Experimental study validates the utility of G-hash in chemical databases.

  17. Analysis and fabrication of tungsten CERMET materials for ultra-high temperature reactor applications via pulsed electric current sintering

    NASA Astrophysics Data System (ADS)

    Webb, Jonathan A.

    The optimized development path for the fabrication of ultra-high temperature W-UO2 CERMET fuel elements were explored within this dissertation. A robust literature search was conducted, which concluded that a W-UO 2 fuel element must contain a fine tungsten microstructure and spherical UO2 kernels throughout the entire consolidation process. Combined Monte Carlo and Computational Fluid Dynamics (CFD) analysis were used to determine the effects of rhenium and gadolinia additions on the performance of W-UO 2 fuel elements at refractory temperatures and in dry and water submerged environments. The computational analysis also led to the design of quasi-optimized fuel elements that can meet thermal-hydraulic and neutronic requirements A rigorous set of experiments were conducted to determine if Pulsed Electric Current Sintering (PECS) can fabricate tungsten and W-Ce02 specimens to the required geometries, densities and microstructures required for high temperature fuel elements as well as determine the mechanisms involved within the PECS consolidation process. The CeO2 acts as a surrogate for UO 2 fuel kernels in these experiments. The experiments seemed to confirm that PECS consolidation takes place via diffusional mass transfer methods; however, the densification process is rapidly accelerated due to the effects of current densities within the consolidating specimen. Fortunately the grain growth proceeds at a traditional rate and the PECS process can yield near fully dense W and W-Ce02 specimens with a finer microstructure than other sintering techniques. PECS consolidation techniques were also shown to be capable of producing W-UO2 segments at near-prototypic geometries; however, great care must be taken to coat the fuel particles with tungsten prior to sintering. Also, great care must be taken to ensure that the particles remain spherical in geometry under the influence of a uniaxial stress as applied during PECS, which involves mixing different fuel kernel sizes in order to reduce the porosity in the initial green compact. Particle mixing techniques were also shown to be capable of producing consolidated CERMETs, but with a less than desirable microstructure. The work presented herin will help in the development of very high temperature reactors for terrestrial and space missions in the future.

  18. Sensitivities Kernels of Seismic Traveltimes and Amplitudes for Quality Factor and Boundary Topography

    NASA Astrophysics Data System (ADS)

    Hsieh, M.; Zhao, L.; Ma, K.

    2010-12-01

    Finite-frequency approach enables seismic tomography to fully utilize the spatial and temporal distributions of the seismic wavefield to improve resolution. In achieving this goal, one of the most important tasks is to compute efficiently and accurately the (Fréchet) sensitivity kernels of finite-frequency seismic observables such as traveltime and amplitude to the perturbations of model parameters. In scattering-integral approach, the Fréchet kernels are expressed in terms of the strain Green tensors (SGTs), and a pre-established SGT database is necessary to achieve practical efficiency for a three-dimensional reference model in which the SGTs must be calculated numerically. Methods for computing Fréchet kernels for seismic velocities have long been established. In this study, we develop algorithms based on the finite-difference method for calculating Fréchet kernels for the quality factor Qμ and seismic boundary topography. Kernels for the quality factor can be obtained in a way similar to those for seismic velocities with the help of the Hilbert transform. The effects of seismic velocities and quality factor on either traveltime or amplitude are coupled. Kernels for boundary topography involve spatial gradient of the SGTs and they also exhibit interesting finite-frequency characteristics. Examples of quality factor and boundary topography kernels will be shown for a realistic model for the Taiwan region with three-dimensional velocity variation as well as surface and Moho discontinuity topography.

  19. Implementing Molecular Dynamics on Hybrid High Performance Computers - Particle-Particle Particle-Mesh

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, W Michael; Kohlmeyer, Axel; Plimpton, Steven J

    The use of accelerators such as graphics processing units (GPUs) has become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power requirements. Hybrid high-performance computers, machines with nodes containing more than one type of floating-point processor (e.g. CPU and GPU), are now becoming more prevalent due to these advantages. In this paper, we present a continuation of previous work implementing algorithms for using accelerators into the LAMMPS molecular dynamics software for distributed memory parallel hybrid machines. In our previous work, we focused on acceleration for short-range models with anmore » approach intended to harness the processing power of both the accelerator and (multi-core) CPUs. To augment the existing implementations, we present an efficient implementation of long-range electrostatic force calculation for molecular dynamics. Specifically, we present an implementation of the particle-particle particle-mesh method based on the work by Harvey and De Fabritiis. We present benchmark results on the Keeneland InfiniBand GPU cluster. We provide a performance comparison of the same kernels compiled with both CUDA and OpenCL. We discuss limitations to parallel efficiency and future directions for improving performance on hybrid or heterogeneous computers.« less

  20. On Quantile Regression in Reproducing Kernel Hilbert Spaces with Data Sparsity Constraint

    PubMed Central

    Zhang, Chong; Liu, Yufeng; Wu, Yichao

    2015-01-01

    For spline regressions, it is well known that the choice of knots is crucial for the performance of the estimator. As a general learning framework covering the smoothing splines, learning in a Reproducing Kernel Hilbert Space (RKHS) has a similar issue. However, the selection of training data points for kernel functions in the RKHS representation has not been carefully studied in the literature. In this paper we study quantile regression as an example of learning in a RKHS. In this case, the regular squared norm penalty does not perform training data selection. We propose a data sparsity constraint that imposes thresholding on the kernel function coefficients to achieve a sparse kernel function representation. We demonstrate that the proposed data sparsity method can have competitive prediction performance for certain situations, and have comparable performance in other cases compared to that of the traditional squared norm penalty. Therefore, the data sparsity method can serve as a competitive alternative to the squared norm penalty method. Some theoretical properties of our proposed method using the data sparsity constraint are obtained. Both simulated and real data sets are used to demonstrate the usefulness of our data sparsity constraint. PMID:27134575

  1. Super-resolution fusion of complementary panoramic images based on cross-selection kernel regression interpolation.

    PubMed

    Chen, Lidong; Basu, Anup; Zhang, Maojun; Wang, Wei; Liu, Yu

    2014-03-20

    A complementary catadioptric imaging technique was proposed to solve the problem of low and nonuniform resolution in omnidirectional imaging. To enhance this research, our paper focuses on how to generate a high-resolution panoramic image from the captured omnidirectional image. To avoid the interference between the inner and outer images while fusing the two complementary views, a cross-selection kernel regression method is proposed. First, in view of the complementarity of sampling resolution in the tangential and radial directions between the inner and the outer images, respectively, the horizontal gradients in the expected panoramic image are estimated based on the scattered neighboring pixels mapped from the outer, while the vertical gradients are estimated using the inner image. Then, the size and shape of the regression kernel are adaptively steered based on the local gradients. Furthermore, the neighboring pixels in the next interpolation step of kernel regression are also selected based on the comparison between the horizontal and vertical gradients. In simulation and real-image experiments, the proposed method outperforms existing kernel regression methods and our previous wavelet-based fusion method in terms of both visual quality and objective evaluation.

  2. THERMOS. 30-Group ENDF/B Scattered Kernels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McCrosson, F.J.; Finch, D.R.

    1973-12-01

    These data are 30-group THERMOS thermal scattering kernels for P0 to P5 Legendre orders for every temperature of every material from s(alpha,beta) data stored in the ENDF/B library. These scattering kernels were generated using the FLANGE2 computer code. To test the kernels, the integral properties of each set of kernels were determined by a precision integration of the diffusion length equation and compared to experimental measurements of these properties. In general, the agreement was very good. Details of the methods used and results obtained are contained in the reference. The scattering kernels are organized into a two volume magnetic tapemore » library from which they may be retrieved easily for use in any 30-group THERMOS library.« less

  3. Depth-time interpolation of feature trends extracted from mobile microelectrode data with kernel functions.

    PubMed

    Wong, Stephen; Hargreaves, Eric L; Baltuch, Gordon H; Jaggi, Jurg L; Danish, Shabbar F

    2012-01-01

    Microelectrode recording (MER) is necessary for precision localization of target structures such as the subthalamic nucleus during deep brain stimulation (DBS) surgery. Attempts to automate this process have produced quantitative temporal trends (feature activity vs. time) extracted from mobile MER data. Our goal was to evaluate computational methods of generating spatial profiles (feature activity vs. depth) from temporal trends that would decouple automated MER localization from the clinical procedure and enhance functional localization in DBS surgery. We evaluated two methods of interpolation (standard vs. kernel) that generated spatial profiles from temporal trends. We compared interpolated spatial profiles to true spatial profiles that were calculated with depth windows, using correlation coefficient analysis. Excellent approximation of true spatial profiles is achieved by interpolation. Kernel-interpolated spatial profiles produced superior correlation coefficient values at optimal kernel widths (r = 0.932-0.940) compared to standard interpolation (r = 0.891). The choice of kernel function and kernel width resulted in trade-offs in smoothing and resolution. Interpolation of feature activity to create spatial profiles from temporal trends is accurate and can standardize and facilitate MER functional localization of subcortical structures. The methods are computationally efficient, enhancing localization without imposing additional constraints on the MER clinical procedure during DBS surgery. Copyright © 2012 S. Karger AG, Basel.

  4. A Network-Based Kernel Machine Test for the Identification of Risk Pathways in Genome-Wide Association Studies

    PubMed Central

    Freytag, Saskia; Manitz, Juliane; Schlather, Martin; Kneib, Thomas; Amos, Christopher I.; Risch, Angela; Chang-Claude, Jenny; Heinrich, Joachim; Bickeböller, Heike

    2014-01-01

    Biological pathways provide rich information and biological context on the genetic causes of complex diseases. The logistic kernel machine test integrates prior knowledge on pathways in order to analyze data from genome-wide association studies (GWAS). Here, the kernel converts genomic information of two individuals to a quantitative value reflecting their genetic similarity. With the selection of the kernel one implicitly chooses a genetic effect model. Like many other pathway methods, none of the available kernels accounts for topological structure of the pathway or gene-gene interaction types. However, evidence indicates that connectivity and neighborhood of genes are crucial in the context of GWAS, because genes associated with a disease often interact. Thus, we propose a novel kernel that incorporates the topology of pathways and information on interactions. Using simulation studies, we demonstrate that the proposed method maintains the type I error correctly and can be more effective in the identification of pathways associated with a disease than non-network-based methods. We apply our approach to genome-wide association case control data on lung cancer and rheumatoid arthritis. We identify some promising new pathways associated with these diseases, which may improve our current understanding of the genetic mechanisms. PMID:24434848

  5. Epileptic Seizure Detection with Log-Euclidean Gaussian Kernel-Based Sparse Representation.

    PubMed

    Yuan, Shasha; Zhou, Weidong; Wu, Qi; Zhang, Yanli

    2016-05-01

    Epileptic seizure detection plays an important role in the diagnosis of epilepsy and reducing the massive workload of reviewing electroencephalography (EEG) recordings. In this work, a novel algorithm is developed to detect seizures employing log-Euclidean Gaussian kernel-based sparse representation (SR) in long-term EEG recordings. Unlike the traditional SR for vector data in Euclidean space, the log-Euclidean Gaussian kernel-based SR framework is proposed for seizure detection in the space of the symmetric positive definite (SPD) matrices, which form a Riemannian manifold. Since the Riemannian manifold is nonlinear, the log-Euclidean Gaussian kernel function is applied to embed it into a reproducing kernel Hilbert space (RKHS) for performing SR. The EEG signals of all channels are divided into epochs and the SPD matrices representing EEG epochs are generated by covariance descriptors. Then, the testing samples are sparsely coded over the dictionary composed by training samples utilizing log-Euclidean Gaussian kernel-based SR. The classification of testing samples is achieved by computing the minimal reconstructed residuals. The proposed method is evaluated on the Freiburg EEG dataset of 21 patients and shows its notable performance on both epoch-based and event-based assessments. Moreover, this method handles multiple channels of EEG recordings synchronously which is more speedy and efficient than traditional seizure detection methods.

  6. A kernel function method for computing steady and oscillatory supersonic aerodynamics with interference.

    NASA Technical Reports Server (NTRS)

    Cunningham, A. M., Jr.

    1973-01-01

    The method presented uses a collocation technique with the nonplanar kernel function to solve supersonic lifting surface problems with and without interference. A set of pressure functions are developed based on conical flow theory solutions which account for discontinuities in the supersonic pressure distributions. These functions permit faster solution convergence than is possible with conventional supersonic pressure functions. An improper integral of a 3/2 power singularity along the Mach hyperbola of the nonplanar supersonic kernel function is described and treated. The method is compared with other theories and experiment for a variety of cases.

  7. Oscillatory supersonic kernel function method for interfering surfaces

    NASA Technical Reports Server (NTRS)

    Cunningham, A. M., Jr.

    1974-01-01

    In the method presented in this paper, a collocation technique is used with the nonplanar supersonic kernel function to solve multiple lifting surface problems with interference in steady or oscillatory flow. The pressure functions used are based on conical flow theory solutions and provide faster solution convergence than is possible with conventional functions. In the application of the nonplanar supersonic kernel function, an improper integral of a 3/2 power singularity along the Mach hyperbola is described and treated. The method is compared with other theories and experiment for two wing-tail configurations in steady and oscillatory flow.

  8. The Continuized Log-Linear Method: An Alternative to the Kernel Method of Continuization in Test Equating

    ERIC Educational Resources Information Center

    Wang, Tianyou

    2008-01-01

    Von Davier, Holland, and Thayer (2004) laid out a five-step framework of test equating that can be applied to various data collection designs and equating methods. In the continuization step, they presented an adjusted Gaussian kernel method that preserves the first two moments. This article proposes an alternative continuization method that…

  9. Moisture Adsorption Isotherm and Storability of Hazelnut Inshells and Kernels Produced in Oregon, USA.

    PubMed

    Jung, Jooyeoun; Wang, Wenjie; McGorrin, Robert J; Zhao, Yanyun

    2018-02-01

    Moisture adsorption isotherms and storability of dried hazelnut inshells and kernels produced in Oregon were evaluated and compared among cultivars, including Barcelona, Yamhill, and Jefferson. Experimental moisture adsorption data fitted to Guggenheim-Anderson-de Boer (GAB) model, showing less hygroscopic properties in Yamhill than other cultivars of inshells and kernels due to lower content of carbohydrate and protein, but higher content of fat. The safe levels of moisture content (MC, dry basis) of dried inshells and kernels for reaching kernel water activity (a w ) ≤0.65 were estimated using the GAB model as 11.3% and 5.0% for Barcelona, 9.4% and 4.2% for Yamhill, and 10.7% and 4.9% for Jefferson, respectively. Storage conditions (2 °C at 85% to 95% relative humidity [RH], 10 °C at 65% to 75% RH, and 27 °C at 35% to 45% RH), times (0, 4, 8, or 12 mo), and packaging methods (atmosphere vs. vacuum) affected MC, a w , bioactive compounds, lipid oxidation, and enzyme activity of dried hazelnut inshells or kernels. For inshells packaged at woven polypropylene bag, MC and a w of inshells and kernels (inside shells) increased at 2 and 10 °C, but decreased at 27 °C during storage. For kernels, lipid oxidation and polyphenol oxidase activity also increased with extended storage time (P < 0.05), and MC and a w of vacuum packaged samples were more stable during storage than those atmospherically packaged ones. Principal component analysis showed correlation of kernel qualities with storage condition, time, and packaging method. This study demonstrated that the ideal storage condition or packaging method varied among cultivars due to their different moisture adsorption and physicochemical and enzymatic stability during storage. Moisture adsorption isotherm of hazelnut inshells and kernels is useful for predicting the storability of nuts. This study found that water adsorption and storability varied among the different cultivars of nuts, in which Yamhill was less hygroscopic than Barcelona and Jefferson, thus more stable during storage. For ensuring food safety and quality of nuts during storage, each cultivar of kernels should be dried to a certain level of MC. Lipid oxidation and enzyme activity of kernel could be increased with extended storage time. Vacuum packaging was recommended to kernels for reducing moisture adsorption during storage. © 2018 Institute of Food Technologists®.

  10. Protein Analysis Meets Visual Word Recognition: A Case for String Kernels in the Brain

    ERIC Educational Resources Information Center

    Hannagan, Thomas; Grainger, Jonathan

    2012-01-01

    It has been recently argued that some machine learning techniques known as Kernel methods could be relevant for capturing cognitive and neural mechanisms (Jakel, Scholkopf, & Wichmann, 2009). We point out that "String kernels," initially designed for protein function prediction and spam detection, are virtually identical to one contending proposal…

  11. Bands selection and classification of hyperspectral images based on hybrid kernels SVM by evolutionary algorithm

    NASA Astrophysics Data System (ADS)

    Hu, Yan-Yan; Li, Dong-Sheng

    2016-01-01

    The hyperspectral images(HSI) consist of many closely spaced bands carrying the most object information. While due to its high dimensionality and high volume nature, it is hard to get satisfactory classification performance. In order to reduce HSI data dimensionality preparation for high classification accuracy, it is proposed to combine a band selection method of artificial immune systems (AIS) with a hybrid kernels support vector machine (SVM-HK) algorithm. In fact, after comparing different kernels for hyperspectral analysis, the approach mixed radial basis function kernel (RBF-K) with sigmoid kernel (Sig-K) and applied the optimized hybrid kernels in SVM classifiers. Then the SVM-HK algorithm used to induce the bands selection of an improved version of AIS. The AIS was composed of clonal selection and elite antibody mutation, including evaluation process with optional index factor (OIF). Experimental classification performance was on a San Diego Naval Base acquired by AVIRIS, the HRS dataset shows that the method is able to efficiently achieve bands redundancy removal while outperforming the traditional SVM classifier.

  12. Fully-Automated High-Throughput NMR System for Screening of Haploid Kernels of Maize (Corn) by Measurement of Oil Content

    PubMed Central

    Xu, Xiaoping; Huang, Qingming; Chen, Shanshan; Yang, Peiqiang; Chen, Shaojiang; Song, Yiqiao

    2016-01-01

    One of the modern crop breeding techniques uses doubled haploid plants that contain an identical pair of chromosomes in order to accelerate the breeding process. Rapid haploid identification method is critical for large-scale selections of double haploids. The conventional methods based on the color of the endosperm and embryo seeds are slow, manual and prone to error. On the other hand, there exists a significant difference between diploid and haploid seeds generated by high oil inducer, which makes it possible to use oil content to identify the haploid. This paper describes a fully-automated high-throughput NMR screening system for maize haploid kernel identification. The system is comprised of a sampler unit to select a single kernel to feed for measurement of NMR and weight, and a kernel sorter to distribute the kernel according to the measurement result. Tests of the system show a consistent accuracy of 94% with an average screening time of 4 seconds per kernel. Field test result is described and the directions for future improvement are discussed. PMID:27454427

  13. Unsupervised multiple kernel learning for heterogeneous data integration.

    PubMed

    Mariette, Jérôme; Villa-Vialaneix, Nathalie

    2018-03-15

    Recent high-throughput sequencing advances have expanded the breadth of available omics datasets and the integrated analysis of multiple datasets obtained on the same samples has allowed to gain important insights in a wide range of applications. However, the integration of various sources of information remains a challenge for systems biology since produced datasets are often of heterogeneous types, with the need of developing generic methods to take their different specificities into account. We propose a multiple kernel framework that allows to integrate multiple datasets of various types into a single exploratory analysis. Several solutions are provided to learn either a consensus meta-kernel or a meta-kernel that preserves the original topology of the datasets. We applied our framework to analyse two public multi-omics datasets. First, the multiple metagenomic datasets, collected during the TARA Oceans expedition, was explored to demonstrate that our method is able to retrieve previous findings in a single kernel PCA as well as to provide a new image of the sample structures when a larger number of datasets are included in the analysis. To perform this analysis, a generic procedure is also proposed to improve the interpretability of the kernel PCA in regards with the original data. Second, the multi-omics breast cancer datasets, provided by The Cancer Genome Atlas, is analysed using a kernel Self-Organizing Maps with both single and multi-omics strategies. The comparison of these two approaches demonstrates the benefit of our integration method to improve the representation of the studied biological system. Proposed methods are available in the R package mixKernel, released on CRAN. It is fully compatible with the mixOmics package and a tutorial describing the approach can be found on mixOmics web site http://mixomics.org/mixkernel/. jerome.mariette@inra.fr or nathalie.villa-vialaneix@inra.fr. Supplementary data are available at Bioinformatics online.

  14. Characterization of non-diffusive transport in plasma turbulence by means of flux-gradient integro-differential kernels

    NASA Astrophysics Data System (ADS)

    Alcuson, J. A.; Reynolds-Barredo, J. M.; Mier, J. A.; Sanchez, Raul; Del-Castillo-Negrete, Diego; Newman, David E.; Tribaldos, V.

    2015-11-01

    A method to determine fractional transport exponents in systems dominated by fluid or plasma turbulence is proposed. The method is based on the estimation of the integro-differential kernel that relates values of the fluxes and gradients of the transported field, and its comparison with the family of analytical kernels of the linear fractional transport equation. Although use of this type of kernels has been explored before in this context, the methodology proposed here is rather unique since the connection with specific fractional equations is exploited from the start. The procedure has been designed to be particularly well-suited for application in experimental setups, taking advantage of the fact that kernel determination only requires temporal data of the transported field measured on an Eulerian grid. The simplicity and robustness of the method is tested first by using fabricated data from continuous-time random walk models built with prescribed transport characteristics. Its strengths are then illustrated on numerical Eulerian data gathered from simulations of a magnetically confined turbulent plasma in a near-critical regime, that is known to exhibit superdiffusive radial transport

  15. An investigation of the generation and properties of laboratory-produced ball lightning

    NASA Astrophysics Data System (ADS)

    Oreshko, A. G.

    2015-06-01

    The experiments revealed that ball lightning is a self-confining quasi-neutral in a whole plasma system that rotates around its axis. Ball lightning has a structure of a spherical electric domain, consisting of a kernel with excess negative charge and an external spherical layer with excess positive charge. The excess of charges of one sort and the lack of charges of the other sort in the kernel or in the external spherical layer significantly reduces the possibility of electron capture by means of an electric field, created by the nearest ions and leads to a drastic slowdown of recombination process. Direct proof has been obtained that inside of ball lightning - in an external spherical layer that rotates around the axis - there is a circular current of sub-relativistic particles. This current creates and maintains its own poloidal magnetic field of ball lightning, i.e. it carries out the function of magnetic dynamo. The kernel of ball lightning is situated in a region with minimum values of induction of the magnetic field. The inequality of positive and negative charges in elements of ball lightning also significantly reduces losses of the charged plasma on bremsstrahlung. Ball lightning generation occurs in a plasmic vortex. The ball lightning energy in the region of its generation significantly differs from the ball lightning energy, which is drifting in space. The axial component of kinetic energy of particles slightly exceeds 100 keV and the rotational component of the ions energy is a bit greater than 1 MeV. Ball lightning is `embedded' in atmosphere autonomous accelerator of charged particles of a cyclotron type due to self-generation of strong crossed electric and magnetic fields. A discussion of the conditions of stability and long-term existence of ball lightning is given.

  16. Straight-chain halocarbon forming fluids for TRISO fuel kernel production - Tests with yttria-stabilized zirconia microspheres

    NASA Astrophysics Data System (ADS)

    Baker, M. P.; King, J. C.; Gorman, B. P.; Braley, J. C.

    2015-03-01

    Current methods of TRISO fuel kernel production in the United States use a sol-gel process with trichloroethylene (TCE) as the forming fluid. After contact with radioactive materials, the spent TCE becomes a mixed hazardous waste, and high costs are associated with its recycling or disposal. Reducing or eliminating this mixed waste stream would not only benefit the environment, but would also enhance the economics of kernel production. Previous research yielded three candidates for testing as alternatives to TCE: 1-bromotetradecane, 1-chlorooctadecane, and 1-iodododecane. This study considers the production of yttria-stabilized zirconia (YSZ) kernels in silicone oil and the three chosen alternative formation fluids, with subsequent characterization of the produced kernels and used forming fluid. Kernels formed in silicone oil and bromotetradecane were comparable to those produced by previous kernel production efforts, while those produced in chlorooctadecane and iodododecane experienced gelation issues leading to poor kernel formation and geometry.

  17. Test particle propagation in magnetostatic turbulence. 2: The local approximation method

    NASA Technical Reports Server (NTRS)

    Klimas, A. J.; Sandri, G.; Scudder, J. D.; Howell, D. R.

    1976-01-01

    An approximation method for statistical mechanics is presented and applied to a class of problems which contains a test particle propagation problem. All of the available basic equations used in statistical mechanics are cast in the form of a single equation which is integrodifferential in time and which is then used as the starting point for the construction of the local approximation method. Simplification of the integrodifferential equation is achieved through approximation to the Laplace transform of its kernel. The approximation is valid near the origin in the Laplace space and is based on the assumption of small Laplace variable. No other small parameter is necessary for the construction of this approximation method. The n'th level of approximation is constructed formally, and the first five levels of approximation are calculated explicitly. It is shown that each level of approximation is governed by an inhomogeneous partial differential equation in time with time independent operator coefficients. The order in time of these partial differential equations is found to increase as n does. At n = 0 the most local first order partial differential equation which governs the Markovian limit is regained.

  18. Iterative Methods to Solve Linear RF Fields in Hot Plasma

    NASA Astrophysics Data System (ADS)

    Spencer, Joseph; Svidzinski, Vladimir; Evstatiev, Evstati; Galkin, Sergei; Kim, Jin-Soo

    2014-10-01

    Most magnetic plasma confinement devices use radio frequency (RF) waves for current drive and/or heating. Numerical modeling of RF fields is an important part of performance analysis of such devices and a predictive tool aiding design and development of future devices. Prior attempts at this modeling have mostly used direct solvers to solve the formulated linear equations. Full wave modeling of RF fields in hot plasma with 3D nonuniformities is mostly prohibited, with memory demands of a direct solver placing a significant limitation on spatial resolution. Iterative methods can significantly increase spatial resolution. We explore the feasibility of using iterative methods in 3D full wave modeling. The linear wave equation is formulated using two approaches: for cold plasmas the local cold plasma dielectric tensor is used (resolving resonances by particle collisions), while for hot plasmas the conductivity kernel (which includes a nonlocal dielectric response) is calculated by integrating along test particle orbits. The wave equation is discretized using a finite difference approach. The initial guess is important in iterative methods, and we examine different initial guesses including the solution to the cold plasma wave equation. Work is supported by the U.S. DOE SBIR program.

  19. CompareSVM: supervised, Support Vector Machine (SVM) inference of gene regularity networks.

    PubMed

    Gillani, Zeeshan; Akash, Muhammad Sajid Hamid; Rahaman, M D Matiur; Chen, Ming

    2014-11-30

    Predication of gene regularity network (GRN) from expression data is a challenging task. There are many methods that have been developed to address this challenge ranging from supervised to unsupervised methods. Most promising methods are based on support vector machine (SVM). There is a need for comprehensive analysis on prediction accuracy of supervised method SVM using different kernels on different biological experimental conditions and network size. We developed a tool (CompareSVM) based on SVM to compare different kernel methods for inference of GRN. Using CompareSVM, we investigated and evaluated different SVM kernel methods on simulated datasets of microarray of different sizes in detail. The results obtained from CompareSVM showed that accuracy of inference method depends upon the nature of experimental condition and size of the network. For network with nodes (<200) and average (over all sizes of networks), SVM Gaussian kernel outperform on knockout, knockdown, and multifactorial datasets compared to all the other inference methods. For network with large number of nodes (~500), choice of inference method depend upon nature of experimental condition. CompareSVM is available at http://bis.zju.edu.cn/CompareSVM/ .

  20. On one solution of Volterra integral equations of second kind

    NASA Astrophysics Data System (ADS)

    Myrhorod, V.; Hvozdeva, I.

    2016-10-01

    A solution of Volterra integral equations of the second kind with separable and difference kernels based on solutions of corresponding equations linking the kernel and resolvent is suggested. On the basis of a discrete functions class, the equations linking the kernel and resolvent are obtained and the methods of their analytical solutions are proposed. A mathematical model of the gas-turbine engine state modification processes in the form of Volterra integral equation of the second kind with separable kernel is offered.

  1. Graph wavelet alignment kernels for drug virtual screening.

    PubMed

    Smalter, Aaron; Huan, Jun; Lushington, Gerald

    2009-06-01

    In this paper, we introduce a novel statistical modeling technique for target property prediction, with applications to virtual screening and drug design. In our method, we use graphs to model chemical structures and apply a wavelet analysis of graphs to summarize features capturing graph local topology. We design a novel graph kernel function to utilize the topology features to build predictive models for chemicals via Support Vector Machine classifier. We call the new graph kernel a graph wavelet-alignment kernel. We have evaluated the efficacy of the wavelet-alignment kernel using a set of chemical structure-activity prediction benchmarks. Our results indicate that the use of the kernel function yields performance profiles comparable to, and sometimes exceeding that of the existing state-of-the-art chemical classification approaches. In addition, our results also show that the use of wavelet functions significantly decreases the computational costs for graph kernel computation with more than ten fold speedup.

  2. Kernels, Degrees of Freedom, and Power Properties of Quadratic Distance Goodness-of-Fit Tests

    PubMed Central

    Lindsay, Bruce G.; Markatou, Marianthi; Ray, Surajit

    2014-01-01

    In this article, we study the power properties of quadratic-distance-based goodness-of-fit tests. First, we introduce the concept of a root kernel and discuss the considerations that enter the selection of this kernel. We derive an easy to use normal approximation to the power of quadratic distance goodness-of-fit tests and base the construction of a noncentrality index, an analogue of the traditional noncentrality parameter, on it. This leads to a method akin to the Neyman-Pearson lemma for constructing optimal kernels for specific alternatives. We then introduce a midpower analysis as a device for choosing optimal degrees of freedom for a family of alternatives of interest. Finally, we introduce a new diffusion kernel, called the Pearson-normal kernel, and study the extent to which the normal approximation to the power of tests based on this kernel is valid. Supplementary materials for this article are available online. PMID:24764609

  3. Initial Simulations of RF Waves in Hot Plasmas Using the FullWave Code

    NASA Astrophysics Data System (ADS)

    Zhao, Liangji; Svidzinski, Vladimir; Spencer, Andrew; Kim, Jin-Soo

    2017-10-01

    FullWave is a simulation tool that models RF fields in hot inhomogeneous magnetized plasmas. The wave equations with linearized hot plasma dielectric response are solved in configuration space on adaptive cloud of computational points. The nonlocal hot plasma dielectric response is formulated by calculating the plasma conductivity kernel based on the solution of the linearized Vlasov equation in inhomogeneous magnetic field. In an rf field, the hot plasma dielectric response is limited to the distance of a few particles' Larmor radii, near the magnetic field line passing through the test point. The localization of the hot plasma dielectric response results in a sparse matrix of the problem thus significantly reduces the size of the problem and makes the simulations faster. We will present the initial results of modeling of rf waves using the Fullwave code, including calculation of nonlocal conductivity kernel in 2D Tokamak geometry; the interpolation of conductivity kernel from test points to adaptive cloud of computational points; and the results of self-consistent simulations of 2D rf fields using calculated hot plasma conductivity kernel in a tokamak plasma with reduced parameters. Work supported by the US DOE ``SBIR program.

  4. Kernel reconstruction methods for Doppler broadening — Temperature interpolation by linear combination of reference cross sections at optimally chosen temperatures

    DOE PAGES

    Ducru, Pablo; Josey, Colin; Dibert, Karia; ...

    2017-01-25

    This paper establishes a new family of methods to perform temperature interpolation of nuclear interactions cross sections, reaction rates, or cross sections times the energy. One of these quantities at temperature T is approximated as a linear combination of quantities at reference temperatures (T j). The problem is formalized in a cross section independent fashion by considering the kernels of the different operators that convert cross section related quantities from a temperature T 0 to a higher temperature T — namely the Doppler broadening operation. Doppler broadening interpolation of nuclear cross sections is thus here performed by reconstructing the kernelmore » of the operation at a given temperature T by means of linear combination of kernels at reference temperatures (T j). The choice of the L 2 metric yields optimal linear interpolation coefficients in the form of the solutions of a linear algebraic system inversion. The optimization of the choice of reference temperatures (T j) is then undertaken so as to best reconstruct, in the L∞ sense, the kernels over a given temperature range [T min,T max]. The performance of these kernel reconstruction methods is then assessed in light of previous temperature interpolation methods by testing them upon isotope 238U. Temperature-optimized free Doppler kernel reconstruction significantly outperforms all previous interpolation-based methods, achieving 0.1% relative error on temperature interpolation of 238U total cross section over the temperature range [300 K,3000 K] with only 9 reference temperatures.« less

  5. Contribution to the identification of pyrolysis byproducts in fluidized bed soot and in pyrocarbon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wolfrum, E.; Rottmann, J.; Bueker, I.

    1973-01-15

    In order to develop improved fuel particles, pyrohysis byproducts of both the pyrocarbon separated in fluidized beds and the resulting soot were studied. The aim was to study the separation mechanism of pyrocarbon on fuel kernels during the thermal decomposition of low hydrocarbons. This study referred to pyrolysis products of acetylene and propylene. The extraction was performed with various methods. The extracts were separated gas- chromatographically and mass-spectrometrically; the single components were partially identified. 21 polycyclic and aromatic hydrocarbons were clearly identified in soot. Beyond that, pyrocarbon contains still higher molecular pohycyclic compounds. (18 figures, 12 tables, 34 references) (auth)

  6. Aflatoxin and nutrient contents of peanut collected from local market and their processed foods

    NASA Astrophysics Data System (ADS)

    Ginting, E.; Rahmianna, A. A.; Yusnawan, E.

    2018-01-01

    Peanut is succeptable to aflatoxin contamination and the sources of peanut as well as processing methods considerably affect aflatoxin content of the products. Therefore, the study on aflatoxin and nutrient contents of peanut collected from local market and their processed foods were performed. Good kernels of peanut were prepared into fried peanut, pressed-fried peanut, peanut sauce, peanut press cake, fermented peanut press cake (tempe) and fried tempe, while blended kernels (good and poor kernels) were processed into peanut sauce and tempe and poor kernels were only processed into tempe. The results showed that good and blended kernels which had high number of sound/intact kernels (82,46% and 62,09%), contained 9.8-9.9 ppb of aflatoxin B1, while slightly higher level was seen in poor kernels (12.1 ppb). However, the moisture, ash, protein, and fat contents of the kernels were similar as well as the products. Peanut tempe and fried tempe showed the highest increase in protein content, while decreased fat contents were seen in all products. The increase in aflatoxin B1 of peanut tempe prepared from poor kernels > blended kernels > good kernels. However, it averagely decreased by 61.2% after deep-fried. Excluding peanut tempe and fried tempe, aflatoxin B1 levels in all products derived from good kernels were below the permitted level (15 ppb). This suggests that sorting peanut kernels as ingredients and followed by heat processing would decrease the aflatoxin content in the products.

  7. Multiple Kernel Learning with Random Effects for Predicting Longitudinal Outcomes and Data Integration

    PubMed Central

    Chen, Tianle; Zeng, Donglin

    2015-01-01

    Summary Predicting disease risk and progression is one of the main goals in many clinical research studies. Cohort studies on the natural history and etiology of chronic diseases span years and data are collected at multiple visits. Although kernel-based statistical learning methods are proven to be powerful for a wide range of disease prediction problems, these methods are only well studied for independent data but not for longitudinal data. It is thus important to develop time-sensitive prediction rules that make use of the longitudinal nature of the data. In this paper, we develop a novel statistical learning method for longitudinal data by introducing subject-specific short-term and long-term latent effects through a designed kernel to account for within-subject correlation of longitudinal measurements. Since the presence of multiple sources of data is increasingly common, we embed our method in a multiple kernel learning framework and propose a regularized multiple kernel statistical learning with random effects to construct effective nonparametric prediction rules. Our method allows easy integration of various heterogeneous data sources and takes advantage of correlation among longitudinal measures to increase prediction power. We use different kernels for each data source taking advantage of the distinctive feature of each data modality, and then optimally combine data across modalities. We apply the developed methods to two large epidemiological studies, one on Huntington's disease and the other on Alzheimer's Disease (Alzheimer's Disease Neuroimaging Initiative, ADNI) where we explore a unique opportunity to combine imaging and genetic data to study prediction of mild cognitive impairment, and show a substantial gain in performance while accounting for the longitudinal aspect of the data. PMID:26177419

  8. Flexibly imposing periodicity in kernel independent FMM: A multipole-to-local operator approach

    NASA Astrophysics Data System (ADS)

    Yan, Wen; Shelley, Michael

    2018-02-01

    An important but missing component in the application of the kernel independent fast multipole method (KIFMM) is the capability for flexibly and efficiently imposing singly, doubly, and triply periodic boundary conditions. In most popular packages such periodicities are imposed with the hierarchical repetition of periodic boxes, which may give an incorrect answer due to the conditional convergence of some kernel sums. Here we present an efficient method to properly impose periodic boundary conditions using a near-far splitting scheme. The near-field contribution is directly calculated with the KIFMM method, while the far-field contribution is calculated with a multipole-to-local (M2L) operator which is independent of the source and target point distribution. The M2L operator is constructed with the far-field portion of the kernel function to generate the far-field contribution with the downward equivalent source points in KIFMM. This method guarantees the sum of the near-field & far-field converge pointwise to results satisfying periodicity and compatibility conditions. The computational cost of the far-field calculation observes the same O (N) complexity as FMM and is designed to be small by reusing the data computed by KIFMM for the near-field. The far-field calculations require no additional control parameters, and observes the same theoretical error bound as KIFMM. We present accuracy and timing test results for the Laplace kernel in singly periodic domains and the Stokes velocity kernel in doubly and triply periodic domains.

  9. Improved modeling of clinical data with kernel methods.

    PubMed

    Daemen, Anneleen; Timmerman, Dirk; Van den Bosch, Thierry; Bottomley, Cecilia; Kirk, Emma; Van Holsbeke, Caroline; Valentin, Lil; Bourne, Tom; De Moor, Bart

    2012-02-01

    Despite the rise of high-throughput technologies, clinical data such as age, gender and medical history guide clinical management for most diseases and examinations. To improve clinical management, available patient information should be fully exploited. This requires appropriate modeling of relevant parameters. When kernel methods are used, traditional kernel functions such as the linear kernel are often applied to the set of clinical parameters. These kernel functions, however, have their disadvantages due to the specific characteristics of clinical data, being a mix of variable types with each variable its own range. We propose a new kernel function specifically adapted to the characteristics of clinical data. The clinical kernel function provides a better representation of patients' similarity by equalizing the influence of all variables and taking into account the range r of the variables. Moreover, it is robust with respect to changes in r. Incorporated in a least squares support vector machine, the new kernel function results in significantly improved diagnosis, prognosis and prediction of therapy response. This is illustrated on four clinical data sets within gynecology, with an average increase in test area under the ROC curve (AUC) of 0.023, 0.021, 0.122 and 0.019, respectively. Moreover, when combining clinical parameters and expression data in three case studies on breast cancer, results improved overall with use of the new kernel function and when considering both data types in a weighted fashion, with a larger weight assigned to the clinical parameters. The increase in AUC with respect to a standard kernel function and/or unweighted data combination was maximum 0.127, 0.042 and 0.118 for the three case studies. For clinical data consisting of variables of different types, the proposed kernel function--which takes into account the type and range of each variable--has shown to be a better alternative for linear and non-linear classification problems. Copyright © 2011 Elsevier B.V. All rights reserved.

  10. Electron Microscopic Examination of Irradiated TRISO Coated Particles of Compact 6-3-2 of AGR-1 Experiment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Van Rooyen, Isabella Johanna; Demkowicz, Paul Andrew; Riesterer, Jessica Lori

    2012-12-01

    The electron microscopic examination of selected irradiated TRISO coated particles of the AGR-1 experiment of fuel compact 6-3-2 are presented in this report. Compact 6-3-2 refers to the compact in Capsule 6 at level 3 of Stack 2. The fuel used in capsule 6 compacts, are called the “baseline” fuel as it is fabricated with refined coating process conditions used to fabricate historic German fuel, because of its excellent irradiation performance with UO2 kernels. The AGR-1 fuel is however made of low-enriched uranium oxycarbide (UCO). Kernel diameters are approximately 350 µm with a U-235 enrichment of approximately 19.7%. Compact 6-3-2more » has been irradiated to 11.3% FIMA compact average burn-up with a time average, volume average temperature of 1070.2°C and with a compact average fast fluence of 2.38E21 n/cm« less

  11. Electron Microscopic Examination of Irradiated TRISO Coated Particles of Compact 6-3-2 of AGR-1 Experiment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Van Rooyen, Isabella Johanna; Demkowicz, Paul Andrew; Riesterer, Jessica Lori

    2012-12-01

    The electron microscopic examination of selected irradiated TRISO coated particles of the AGR-1 experiment of fuel compact 6-3-2 are presented in this report. Compact 6-3-2 refers to the compact in Capsule 6 at level 3 of Stack 2. The fuel used in capsule 6 compacts, are called the “baseline” fuel as it is fabricated with refined coating process conditions used to fabricate historic German fuel, because of its excellent irradiation performance with UO 2 kernels. The AGR-1 fuel is however made of low-enriched uranium oxycarbide (UCO). Kernel diameters are approximately 350 µm with a U-235 enrichment of approximately 19.7%. Compactmore » 6-3-2 has been irradiated to 11.3% FIMA compact average burn-up with a time average, volume average temperature of 1070.2°C and with a compact average fast fluence of 2.38E21 n/cm« less

  12. A Comparison of Kernel Equating and Traditional Equipercentile Equating Methods and the Parametric Bootstrap Methods for Estimating Standard Errors in Equipercentile Equating

    ERIC Educational Resources Information Center

    Choi, Sae Il

    2009-01-01

    This study used simulation (a) to compare the kernel equating method to traditional equipercentile equating methods under the equivalent-groups (EG) design and the nonequivalent-groups with anchor test (NEAT) design and (b) to apply the parametric bootstrap method for estimating standard errors of equating. A two-parameter logistic item response…

  13. Computational Particle Dynamic Simulations on Multicore Processors (CPDMu) Final Report Phase I

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schmalz, Mark S

    2011-07-24

    Statement of Problem - Department of Energy has many legacy codes for simulation of computational particle dynamics and computational fluid dynamics applications that are designed to run on sequential processors and are not easily parallelized. Emerging high-performance computing architectures employ massively parallel multicore architectures (e.g., graphics processing units) to increase throughput. Parallelization of legacy simulation codes is a high priority, to achieve compatibility, efficiency, accuracy, and extensibility. General Statement of Solution - A legacy simulation application designed for implementation on mainly-sequential processors has been represented as a graph G. Mathematical transformations, applied to G, produce a graph representation {und G}more » for a high-performance architecture. Key computational and data movement kernels of the application were analyzed/optimized for parallel execution using the mapping G {yields} {und G}, which can be performed semi-automatically. This approach is widely applicable to many types of high-performance computing systems, such as graphics processing units or clusters comprised of nodes that contain one or more such units. Phase I Accomplishments - Phase I research decomposed/profiled computational particle dynamics simulation code for rocket fuel combustion into low and high computational cost regions (respectively, mainly sequential and mainly parallel kernels), with analysis of space and time complexity. Using the research team's expertise in algorithm-to-architecture mappings, the high-cost kernels were transformed, parallelized, and implemented on Nvidia Fermi GPUs. Measured speedups (GPU with respect to single-core CPU) were approximately 20-32X for realistic model parameters, without final optimization. Error analysis showed no loss of computational accuracy. Commercial Applications and Other Benefits - The proposed research will constitute a breakthrough in solution of problems related to efficient parallel computation of particle and fluid dynamics simulations. These problems occur throughout DOE, military and commercial sectors: the potential payoff is high. We plan to license or sell the solution to contractors for military and domestic applications such as disaster simulation (aerodynamic and hydrodynamic), Government agencies (hydrological and environmental simulations), and medical applications (e.g., in tomographic image reconstruction). Keywords - High-performance Computing, Graphic Processing Unit, Fluid/Particle Simulation. Summary for Members of Congress - Department of Energy has many simulation codes that must compute faster, to be effective. The Phase I research parallelized particle/fluid simulations for rocket combustion, for high-performance computing systems.« less

  14. Credit scoring analysis using weighted k nearest neighbor

    NASA Astrophysics Data System (ADS)

    Mukid, M. A.; Widiharih, T.; Rusgiyono, A.; Prahutama, A.

    2018-05-01

    Credit scoring is a quatitative method to evaluate the credit risk of loan applications. Both statistical methods and artificial intelligence are often used by credit analysts to help them decide whether the applicants are worthy of credit. These methods aim to predict future behavior in terms of credit risk based on past experience of customers with similar characteristics. This paper reviews the weighted k nearest neighbor (WKNN) method for credit assessment by considering the use of some kernels. We use credit data from a private bank in Indonesia. The result shows that the Gaussian kernel and rectangular kernel have a better performance based on the value of percentage corrected classified whose value is 82.4% respectively.

  15. Vis-NIR spectrometric determination of Brix and sucrose in sugar production samples using kernel partial least squares with interval selection based on the successive projections algorithm.

    PubMed

    de Almeida, Valber Elias; de Araújo Gomes, Adriano; de Sousa Fernandes, David Douglas; Goicoechea, Héctor Casimiro; Galvão, Roberto Kawakami Harrop; Araújo, Mario Cesar Ugulino

    2018-05-01

    This paper proposes a new variable selection method for nonlinear multivariate calibration, combining the Successive Projections Algorithm for interval selection (iSPA) with the Kernel Partial Least Squares (Kernel-PLS) modelling technique. The proposed iSPA-Kernel-PLS algorithm is employed in a case study involving a Vis-NIR spectrometric dataset with complex nonlinear features. The analytical problem consists of determining Brix and sucrose content in samples from a sugar production system, on the basis of transflectance spectra. As compared to full-spectrum Kernel-PLS, the iSPA-Kernel-PLS models involve a smaller number of variables and display statistically significant superiority in terms of accuracy and/or bias in the predictions. Published by Elsevier B.V.

  16. Optimal Bandwidth Selection in Observed-Score Kernel Equating

    ERIC Educational Resources Information Center

    Häggström, Jenny; Wiberg, Marie

    2014-01-01

    The selection of bandwidth in kernel equating is important because it has a direct impact on the equated test scores. The aim of this article is to examine the use of double smoothing when selecting bandwidths in kernel equating and to compare double smoothing with the commonly used penalty method. This comparison was made using both an equivalent…

  17. Optimizing Support Vector Machine Parameters with Genetic Algorithm for Credit Risk Assessment

    NASA Astrophysics Data System (ADS)

    Manurung, Jonson; Mawengkang, Herman; Zamzami, Elviawaty

    2017-12-01

    Support vector machine (SVM) is a popular classification method known to have strong generalization capabilities. SVM can solve the problem of classification and linear regression or nonlinear kernel which can be a learning algorithm for the ability of classification and regression. However, SVM also has a weakness that is difficult to determine the optimal parameter value. SVM calculates the best linear separator on the input feature space according to the training data. To classify data which are non-linearly separable, SVM uses kernel tricks to transform the data into a linearly separable data on a higher dimension feature space. The kernel trick using various kinds of kernel functions, such as : linear kernel, polynomial, radial base function (RBF) and sigmoid. Each function has parameters which affect the accuracy of SVM classification. To solve the problem genetic algorithms are proposed to be applied as the optimal parameter value search algorithm thus increasing the best classification accuracy on SVM. Data taken from UCI repository of machine learning database: Australian Credit Approval. The results show that the combination of SVM and genetic algorithms is effective in improving classification accuracy. Genetic algorithms has been shown to be effective in systematically finding optimal kernel parameters for SVM, instead of randomly selected kernel parameters. The best accuracy for data has been upgraded from kernel Linear: 85.12%, polynomial: 81.76%, RBF: 77.22% Sigmoid: 78.70%. However, for bigger data sizes, this method is not practical because it takes a lot of time.

  18. Applications of discrete element method in modeling of grain postharvest operations

    USDA-ARS?s Scientific Manuscript database

    Grain kernels are finite and discrete materials. Although flowing grain can behave like a continuum fluid at times, the discontinuous behavior exhibited by grain kernels cannot be simulated solely with conventional continuum-based computer modeling such as finite-element or finite-difference methods...

  19. Kernel-based whole-genome prediction of complex traits: a review.

    PubMed

    Morota, Gota; Gianola, Daniel

    2014-01-01

    Prediction of genetic values has been a focus of applied quantitative genetics since the beginning of the 20th century, with renewed interest following the advent of the era of whole genome-enabled prediction. Opportunities offered by the emergence of high-dimensional genomic data fueled by post-Sanger sequencing technologies, especially molecular markers, have driven researchers to extend Ronald Fisher and Sewall Wright's models to confront new challenges. In particular, kernel methods are gaining consideration as a regression method of choice for genome-enabled prediction. Complex traits are presumably influenced by many genomic regions working in concert with others (clearly so when considering pathways), thus generating interactions. Motivated by this view, a growing number of statistical approaches based on kernels attempt to capture non-additive effects, either parametrically or non-parametrically. This review centers on whole-genome regression using kernel methods applied to a wide range of quantitative traits of agricultural importance in animals and plants. We discuss various kernel-based approaches tailored to capturing total genetic variation, with the aim of arriving at an enhanced predictive performance in the light of available genome annotation information. Connections between prediction machines born in animal breeding, statistics, and machine learning are revisited, and their empirical prediction performance is discussed. Overall, while some encouraging results have been obtained with non-parametric kernels, recovering non-additive genetic variation in a validation dataset remains a challenge in quantitative genetics.

  20. GPU-accelerated Kernel Regression Reconstruction for Freehand 3D Ultrasound Imaging.

    PubMed

    Wen, Tiexiang; Li, Ling; Zhu, Qingsong; Qin, Wenjian; Gu, Jia; Yang, Feng; Xie, Yaoqin

    2017-07-01

    Volume reconstruction method plays an important role in improving reconstructed volumetric image quality for freehand three-dimensional (3D) ultrasound imaging. By utilizing the capability of programmable graphics processing unit (GPU), we can achieve a real-time incremental volume reconstruction at a speed of 25-50 frames per second (fps). After incremental reconstruction and visualization, hole-filling is performed on GPU to fill remaining empty voxels. However, traditional pixel nearest neighbor-based hole-filling fails to reconstruct volume with high image quality. On the contrary, the kernel regression provides an accurate volume reconstruction method for 3D ultrasound imaging but with the cost of heavy computational complexity. In this paper, a GPU-based fast kernel regression method is proposed for high-quality volume after the incremental reconstruction of freehand ultrasound. The experimental results show that improved image quality for speckle reduction and details preservation can be obtained with the parameter setting of kernel window size of [Formula: see text] and kernel bandwidth of 1.0. The computational performance of the proposed GPU-based method can be over 200 times faster than that on central processing unit (CPU), and the volume with size of 50 million voxels in our experiment can be reconstructed within 10 seconds.

  1. Roofline Analysis in the Intel® Advisor to Deliver Optimized Performance for applications on Intel® Xeon Phi™ Processor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Koskela, Tuomas S.; Lobet, Mathieu; Deslippe, Jack

    In this session we show, in two case studies, how the roofline feature of Intel Advisor has been utilized to optimize the performance of kernels of the XGC1 and PICSAR codes in preparation for Intel Knights Landing architecture. The impact of the implemented optimizations and the benefits of using the automatic roofline feature of Intel Advisor to study performance of large applications will be presented. This demonstrates an effective optimization strategy that has enabled these science applications to achieve up to 4.6 times speed-up and prepare for future exascale architectures. # Goal/Relevance of Session The roofline model [1,2] is amore » powerful tool for analyzing the performance of applications with respect to the theoretical peak achievable on a given computer architecture. It allows one to graphically represent the performance of an application in terms of operational intensity, i.e. the ratio of flops performed and bytes moved from memory in order to guide optimization efforts. Given the scale and complexity of modern science applications, it can often be a tedious task for the user to perform the analysis on the level of functions or loops to identify where performance gains can be made. With new Intel tools, it is now possible to automate this task, as well as base the estimates of peak performance on measurements rather than vendor specifications. The goal of this session is to demonstrate how the roofline feature of Intel Advisor can be used to balance memory vs. computation related optimization efforts and effectively identify performance bottlenecks. A series of typical optimization techniques: cache blocking, structure refactoring, data alignment, and vectorization illustrated by the kernel cases will be addressed. # Description of the codes ## XGC1 The XGC1 code [3] is a magnetic fusion Particle-In-Cell code that uses an unstructured mesh for its Poisson solver that allows it to accurately resolve the edge plasma of a magnetic fusion device. After recent optimizations to its collision kernel [4], most of the computing time is spent in the electron push (pushe) kernel, where these optimization efforts have been focused. The kernel code scaled well with MPI+OpenMP but had almost no automatic compiler vectorization, in part due to indirect memory addresses and in part due to low trip counts of low-level loops that would be candidates for vectorization. Particle blocking and sorting have been implemented to increase trip counts of low-level loops and improve memory locality, and OpenMP directives have been added to vectorize compute-intensive loops that were identified by Advisor. The optimizations have improved the performance of the pushe kernel 2x on Haswell processors and 1.7x on KNL. The KNL node-for-node performance has been brought to within 30% of a NERSC Cori phase I Haswell node and we expect to bridge this gap by reducing the memory footprint of compute intensive routines to improve cache reuse. ## PICSAR is a Fortran/Python high-performance Particle-In-Cell library targeting at MIC architectures first designed to be coupled with the PIC code WARP for the simulation of laser-matter interaction and particle accelerators. PICSAR also contains a FORTRAN stand-alone kernel for performance studies and benchmarks. A MPI domain decomposition is used between NUMA domains and a tile decomposition (cache-blocking) handled by OpenMP has been added for shared-memory parallelism and better cache management. The so-called current deposition and field gathering steps that compose the PIC time loop constitute major hotspots that have been rewritten to enable more efficient vectorization. Particle communications between tiles and MPI domain has been merged and parallelized. All considered, these improvements provide speedups of 3.1 for order 1 and 4.6 for order 3 interpolation shape factors on KNL configured in SNC4 quadrant flat mode. Performance is similar between a node of cori phase 1 and KNL at order 1 and better on KNL by a factor 1.6 at order 3 with the considered test case (homogeneous thermal plasma).« less

  2. 7 CFR 51.2738 - Foreign material.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 2 2010-01-01 2010-01-01 false Foreign material. 51.2738 Section 51.2738 Agriculture... Standards for Grades of Shelled Spanish Type Peanuts Definitions § 51.2738 Foreign material. Foreign material means pieces or loose particles of any substance other than peanut kernels or skins. ...

  3. 7 CFR 51.2738 - Foreign material.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 2 2011-01-01 2011-01-01 false Foreign material. 51.2738 Section 51.2738 Agriculture... Standards for Grades of Shelled Spanish Type Peanuts Definitions § 51.2738 Foreign material. Foreign material means pieces or loose particles of any substance other than peanut kernels or skins. ...

  4. A dry-inoculation method for nut kernels.

    PubMed

    Blessington, Tyann; Theofel, Christopher G; Harris, Linda J

    2013-04-01

    A dry-inoculation method for almonds and walnuts was developed to eliminate the need for the postinoculation drying required for wet-inoculation methods. The survival of Salmonella enterica Enteritidis PT 30 on wet- and dry-inoculated almond and walnut kernels stored under ambient conditions (average: 23 °C; 41 or 47% RH) was then compared over 14 weeks. For wet inoculation, an aqueous Salmonella preparation was added directly to almond or walnut kernels, which were then dried under ambient conditions (3 or 7 days, respectively) to initial nut moisture levels. For the dry inoculation, liquid inoculum was mixed with sterilized sand and dried for 24 h at 40 °C. The dried inoculated sand was mixed with kernels, and the sand was removed by shaking the mixture in a sterile sieve. Mixing procedures to optimize the bacterial transfer from sand to kernel were evaluated; in general, similar levels were achieved on walnuts (4.8-5.2 log CFU/g) and almonds (4.2-5.1 log CFU/g). The decline of Salmonella Enteritidis populations was similar during ambient storage (98 days) for both wet-and dry-inoculation methods for both almonds and walnuts. The dry-inoculation method mimics some of the suspected routes of contamination for tree nuts and may be appropriate for some postharvest challenge studies. Copyright © 2012 Elsevier Ltd. All rights reserved.

  5. End-to-end plasma bubble PIC simulations on GPUs

    NASA Astrophysics Data System (ADS)

    Germaschewski, Kai; Fox, William; Matteucci, Jackson; Bhattacharjee, Amitava

    2017-10-01

    Accelerator technologies play a crucial role in eventually achieving exascale computing capabilities. The current and upcoming leadership machines at ORNL (Titan and Summit) employ Nvidia GPUs, which provide vast computational power but also need specifically adapted computational kernels to fully exploit them. In this work, we will show end-to-end particle-in-cell simulations of the formation, evolution and coalescence of laser-generated plasma bubbles. This work showcases the GPU capabilities of the PSC particle-in-cell code, which has been adapted for this problem to support particle injection, a heating operator and a collision operator on GPUs.

  6. Automatic classification of retinal three-dimensional optical coherence tomography images using principal component analysis network with composite kernels.

    PubMed

    Fang, Leyuan; Wang, Chong; Li, Shutao; Yan, Jun; Chen, Xiangdong; Rabbani, Hossein

    2017-11-01

    We present an automatic method, termed as the principal component analysis network with composite kernel (PCANet-CK), for the classification of three-dimensional (3-D) retinal optical coherence tomography (OCT) images. Specifically, the proposed PCANet-CK method first utilizes the PCANet to automatically learn features from each B-scan of the 3-D retinal OCT images. Then, multiple kernels are separately applied to a set of very important features of the B-scans and these kernels are fused together, which can jointly exploit the correlations among features of the 3-D OCT images. Finally, the fused (composite) kernel is incorporated into an extreme learning machine for the OCT image classification. We tested our proposed algorithm on two real 3-D spectral domain OCT (SD-OCT) datasets (of normal subjects and subjects with the macular edema and age-related macular degeneration), which demonstrated its effectiveness. (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

  7. Phenolic compounds and antioxidant activity of kernels and shells of Mexican pecan (Carya illinoinensis).

    PubMed

    de la Rosa, Laura A; Alvarez-Parrilla, Emilio; Shahidi, Fereidoon

    2011-01-12

    The phenolic composition and antioxidant activity of pecan kernels and shells cultivated in three regions of the state of Chihuahua, Mexico, were analyzed. High concentrations of total extractable phenolics, flavonoids, and proanthocyanidins were found in kernels, and 5-20-fold higher concentrations were found in shells. Their concentrations were significantly affected by the growing region. Antioxidant activity was evaluated by ORAC, DPPH•, HO•, and ABTS•-- scavenging (TAC) methods. Antioxidant activity was strongly correlated with the concentrations of phenolic compounds. A strong correlation existed among the results obtained using these four methods. Five individual phenolic compounds were positively identified and quantified in kernels: ellagic, gallic, protocatechuic, and p-hydroxybenzoic acids and catechin. Only ellagic and gallic acids could be identified in shells. Seven phenolic compounds were tentatively identified in kernels by means of MS and UV spectral comparison, namely, protocatechuic aldehyde, (epi)gallocatechin, one gallic acid-glucose conjugate, three ellagic acid derivatives, and valoneic acid dilactone.

  8. Two-baryon systems from HAL QCD method and the mirage in the temporal correlation of the direct method

    NASA Astrophysics Data System (ADS)

    Iritani, Takumi

    2018-03-01

    Both direct and HAL QCD methods are currently used to study the hadron interactions in lattice QCD. In the direct method, the eigen-energy of two-particle is measured from the temporal correlation. Due to the contamination of excited states, however, the direct method suffers from the fake eigen-energy problem, which we call the "mirage problem," while the HAL QCD method can extract information from all elastic states by using the spatial correlation. In this work, we further investigate systematic uncertainties of the HAL QCD method such as the quark source operator dependence, the convergence of the derivative expansion of the non-local interaction kernel, and the single baryon saturation, which are found to be well controlled. We also confirm the consistency between the HAL QCD method and the Lüscher's finite volume formula. Based on the HAL QCD potential, we quantitatively confirm that the mirage plateau in the direct method is indeed caused by the contamination of excited states.

  9. Study of the convergence behavior of the complex kernel least mean square algorithm.

    PubMed

    Paul, Thomas K; Ogunfunmi, Tokunbo

    2013-09-01

    The complex kernel least mean square (CKLMS) algorithm is recently derived and allows for online kernel adaptive learning for complex data. Kernel adaptive methods can be used in finding solutions for neural network and machine learning applications. The derivation of CKLMS involved the development of a modified Wirtinger calculus for Hilbert spaces to obtain the cost function gradient. We analyze the convergence of the CKLMS with different kernel forms for complex data. The expressions obtained enable us to generate theory-predicted mean-square error curves considering the circularity of the complex input signals and their effect on nonlinear learning. Simulations are used for verifying the analysis results.

  10. A robust, high-throughput method for computing maize ear, cob, and kernel attributes automatically from images.

    PubMed

    Miller, Nathan D; Haase, Nicholas J; Lee, Jonghyun; Kaeppler, Shawn M; de Leon, Natalia; Spalding, Edgar P

    2017-01-01

    Grain yield of the maize plant depends on the sizes, shapes, and numbers of ears and the kernels they bear. An automated pipeline that can measure these components of yield from easily-obtained digital images is needed to advance our understanding of this globally important crop. Here we present three custom algorithms designed to compute such yield components automatically from digital images acquired by a low-cost platform. One algorithm determines the average space each kernel occupies along the cob axis using a sliding-window Fourier transform analysis of image intensity features. A second counts individual kernels removed from ears, including those in clusters. A third measures each kernel's major and minor axis after a Bayesian analysis of contour points identifies the kernel tip. Dimensionless ear and kernel shape traits that may interrelate yield components are measured by principal components analysis of contour point sets. Increased objectivity and speed compared to typical manual methods are achieved without loss of accuracy as evidenced by high correlations with ground truth measurements and simulated data. Millimeter-scale differences among ear, cob, and kernel traits that ranged more than 2.5-fold across a diverse group of inbred maize lines were resolved. This system for measuring maize ear, cob, and kernel attributes is being used by multiple research groups as an automated Web service running on community high-throughput computing and distributed data storage infrastructure. Users may create their own workflow using the source code that is staged for download on a public repository. © 2016 The Authors. The Plant Journal published by Society for Experimental Biology and John Wiley & Sons Ltd.

  11. Determination of amino acid contents of manketti seeds (Schinziophyton rautanenii) by pre-column derivatisation with 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate and RP-HPLC.

    PubMed

    Gwatidzo, Luke; Botha, Ben M; McCrindle, Rob I

    2013-12-01

    Defatted kernel flour from manketti seed kernels (Schinziophyton rautanenii) is an underutilised natural product. The plant grows in the wild, on sandy soils little used for agriculture in Southern Africa. The kernels are rich in protein and have a great potential for improving nutrition. The protein content and amino acid profile of manketti seed kernel were studied, using a new analytical method, in order to evaluate the nutritional value. The crude protein content of the press cake and defatted kernel flour was 29.0% and 67.5%, respectively. Leucine and arginine were found to be the most abundant essential and non-essential amino acids, respectively. The seed kernel contained 4.77 g leucine and 12.34 g arginine/100 g of defatted seed kernel flour. Methionine and proline were the least abundant essential and non-essential amino acids to with 0.23 g methionine and 0.36 g proline/100 g of defatted seed kernel flour, respectively. Validation of the pre-column derivatisation procedure with 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate (AQC) for the determination of amino acids was carried out. The analytical parameters were determined: linearity (0.0025-0.20 mM), accuracy of the derivatisation procedure: 86.7-109.8%, precision (method: 0.72-5.04%, instrumental: 0.14-1.88% and derivatisation: 0.15-2.94% and 0.41-4.32% for intraday and interday, respectively). Limits of detection and quantification were 6.80-157 mg/100 g and 22.7-523 mg/100 g kernel flour, respectively. Copyright © 2013 Elsevier Ltd. All rights reserved.

  12. Hyperspectral Image Classification via Kernel Sparse Representation

    DTIC Science & Technology

    2013-01-01

    classification algorithms. Moreover, the spatial coherency across neighboring pixels is also incorporated through a kernelized joint sparsity model , where...joint sparsity model , where all of the pixels within a small neighborhood are jointly represented in the feature space by selecting a few common training...hyperspectral imagery, joint spar- sity model , kernel methods, sparse representation. I. INTRODUCTION HYPERSPECTRAL imaging sensors capture images

  13. Regularized Embedded Multiple Kernel Dimensionality Reduction for Mine Signal Processing.

    PubMed

    Li, Shuang; Liu, Bing; Zhang, Chen

    2016-01-01

    Traditional multiple kernel dimensionality reduction models are generally based on graph embedding and manifold assumption. But such assumption might be invalid for some high-dimensional or sparse data due to the curse of dimensionality, which has a negative influence on the performance of multiple kernel learning. In addition, some models might be ill-posed if the rank of matrices in their objective functions was not high enough. To address these issues, we extend the traditional graph embedding framework and propose a novel regularized embedded multiple kernel dimensionality reduction method. Different from the conventional convex relaxation technique, the proposed algorithm directly takes advantage of a binary search and an alternative optimization scheme to obtain optimal solutions efficiently. The experimental results demonstrate the effectiveness of the proposed method for supervised, unsupervised, and semisupervised scenarios.

  14. Oil point and mechanical behaviour of oil palm kernels in linear compression

    NASA Astrophysics Data System (ADS)

    Kabutey, Abraham; Herak, David; Choteborsky, Rostislav; Mizera, Čestmír; Sigalingging, Riswanti; Akangbe, Olaosebikan Layi

    2017-07-01

    The study described the oil point and mechanical properties of roasted and unroasted bulk oil palm kernels under compression loading. The literature information available is very limited. A universal compression testing machine and vessel diameter of 60 mm with a plunger were used by applying maximum force of 100 kN and speed ranging from 5 to 25 mm min-1. The initial pressing height of the bulk kernels was measured at 40 mm. The oil point was determined by a litmus test for each deformation level of 5, 10, 15, 20, and 25 mm at a minimum speed of 5 mmmin-1. The measured parameters were the deformation, deformation energy, oil yield, oil point strain and oil point pressure. Clearly, the roasted bulk kernels required less deformation energy compared to the unroasted kernels for recovering the kernel oil. However, both kernels were not permanently deformed. The average oil point strain was determined at 0.57. The study is an essential contribution to pursuing innovative methods for processing palm kernel oil in rural areas of developing countries.

  15. Multiscale Support Vector Learning With Projection Operator Wavelet Kernel for Nonlinear Dynamical System Identification.

    PubMed

    Lu, Zhao; Sun, Jing; Butts, Kenneth

    2016-02-03

    A giant leap has been made in the past couple of decades with the introduction of kernel-based learning as a mainstay for designing effective nonlinear computational learning algorithms. In view of the geometric interpretation of conditional expectation and the ubiquity of multiscale characteristics in highly complex nonlinear dynamic systems [1]-[3], this paper presents a new orthogonal projection operator wavelet kernel, aiming at developing an efficient computational learning approach for nonlinear dynamical system identification. In the framework of multiresolution analysis, the proposed projection operator wavelet kernel can fulfill the multiscale, multidimensional learning to estimate complex dependencies. The special advantage of the projection operator wavelet kernel developed in this paper lies in the fact that it has a closed-form expression, which greatly facilitates its application in kernel learning. To the best of our knowledge, it is the first closed-form orthogonal projection wavelet kernel reported in the literature. It provides a link between grid-based wavelets and mesh-free kernel-based methods. Simulation studies for identifying the parallel models of two benchmark nonlinear dynamical systems confirm its superiority in model accuracy and sparsity.

  16. Wilson loops and QCD/string scattering amplitudes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Makeenko, Yuri; Olesen, Poul; Niels Bohr International Academy, Niels Bohr Institute, Blegdamsvej 17, 2100 Copenhagen O

    2009-07-15

    We generalize modern ideas about the duality between Wilson loops and scattering amplitudes in N=4 super Yang-Mills theory to large N QCD by deriving a general relation between QCD meson scattering amplitudes and Wilson loops. We then investigate properties of the open-string disk amplitude integrated over reparametrizations. When the Wilson-loop is approximated by the area behavior, we find that the QCD scattering amplitude is a convolution of the standard Koba-Nielsen integrand and a kernel. As usual poles originate from the first factor, whereas no (momentum-dependent) poles can arise from the kernel. We show that the kernel becomes a constant whenmore » the number of external particles becomes large. The usual Veneziano amplitude then emerges in the kinematical regime, where the Wilson loop can be reliably approximated by the area behavior. In this case, we obtain a direct duality between Wilson loops and scattering amplitudes when spatial variables and momenta are interchanged, in analogy with the N=4 super Yang-Mills theory case.« less

  17. A Novel Weighted Kernel PCA-Based Method for Optimization and Uncertainty Quantification

    NASA Astrophysics Data System (ADS)

    Thimmisetty, C.; Talbot, C.; Chen, X.; Tong, C. H.

    2016-12-01

    It has been demonstrated that machine learning methods can be successfully applied to uncertainty quantification for geophysical systems through the use of the adjoint method coupled with kernel PCA-based optimization. In addition, it has been shown through weighted linear PCA how optimization with respect to both observation weights and feature space control variables can accelerate convergence of such methods. Linear machine learning methods, however, are inherently limited in their ability to represent features of non-Gaussian stochastic random fields, as they are based on only the first two statistical moments of the original data. Nonlinear spatial relationships and multipoint statistics leading to the tortuosity characteristic of channelized media, for example, are captured only to a limited extent by linear PCA. With the aim of coupling the kernel-based and weighted methods discussed, we present a novel mathematical formulation of kernel PCA, Weighted Kernel Principal Component Analysis (WKPCA), that both captures nonlinear relationships and incorporates the attribution of significance levels to different realizations of the stochastic random field of interest. We also demonstrate how new instantiations retaining defining characteristics of the random field can be generated using Bayesian methods. In particular, we present a novel WKPCA-based optimization method that minimizes a given objective function with respect to both feature space random variables and observation weights through which optimal snapshot significance levels and optimal features are learned. We showcase how WKPCA can be applied to nonlinear optimal control problems involving channelized media, and in particular demonstrate an application of the method to learning the spatial distribution of material parameter values in the context of linear elasticity, and discuss further extensions of the method to stochastic inversion.

  18. SELF-GRAVITATIONAL FORCE CALCULATION OF SECOND-ORDER ACCURACY FOR INFINITESIMALLY THIN GASEOUS DISKS IN POLAR COORDINATES

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Hsiang-Hsu; Taam, Ronald E.; Yen, David C. C., E-mail: yen@math.fju.edu.tw

    Investigating the evolution of disk galaxies and the dynamics of proto-stellar disks can involve the use of both a hydrodynamical and a Poisson solver. These systems are usually approximated as infinitesimally thin disks using two-dimensional Cartesian or polar coordinates. In Cartesian coordinates, the calculations of the hydrodynamics and self-gravitational forces are relatively straightforward for attaining second-order accuracy. However, in polar coordinates, a second-order calculation of self-gravitational forces is required for matching the second-order accuracy of hydrodynamical schemes. We present a direct algorithm for calculating self-gravitational forces with second-order accuracy without artificial boundary conditions. The Poisson integral in polar coordinates ismore » expressed in a convolution form and the corresponding numerical complexity is nearly linear using a fast Fourier transform. Examples with analytic solutions are used to verify that the truncated error of this algorithm is of second order. The kernel integral around the singularity is applied to modify the particle method. The use of a softening length is avoided and the accuracy of the particle method is significantly improved.« less

  19. A Comparison of the Kernel Equating Method with Traditional Equating Methods Using SAT[R] Data

    ERIC Educational Resources Information Center

    Liu, Jinghua; Low, Albert C.

    2008-01-01

    This study applied kernel equating (KE) in two scenarios: equating to a very similar population and equating to a very different population, referred to as a distant population, using SAT[R] data. The KE results were compared to the results obtained from analogous traditional equating methods in both scenarios. The results indicate that KE results…

  20. Detection and classification of virus from electron micrograms

    NASA Astrophysics Data System (ADS)

    Strömberg, Jan-Olov

    2010-04-01

    I will present a PhD project were Diffusion Geometry is used in classification of virus particles in cell kernels from electron micrograms. I will give a very short introduction to Diffusion Geometry and discuss the main classification steps. Some preliminary result from a Master Thesis will be presented.

  1. An ensemble method for extracting adverse drug events from social media.

    PubMed

    Liu, Jing; Zhao, Songzheng; Zhang, Xiaodi

    2016-06-01

    Because adverse drug events (ADEs) are a serious health problem and a leading cause of death, it is of vital importance to identify them correctly and in a timely manner. With the development of Web 2.0, social media has become a large data source for information on ADEs. The objective of this study is to develop a relation extraction system that uses natural language processing techniques to effectively distinguish between ADEs and non-ADEs in informal text on social media. We develop a feature-based approach that utilizes various lexical, syntactic, and semantic features. Information-gain-based feature selection is performed to address high-dimensional features. Then, we evaluate the effectiveness of four well-known kernel-based approaches (i.e., subset tree kernel, tree kernel, shortest dependency path kernel, and all-paths graph kernel) and several ensembles that are generated by adopting different combination methods (i.e., majority voting, weighted averaging, and stacked generalization). All of the approaches are tested using three data sets: two health-related discussion forums and one general social networking site (i.e., Twitter). When investigating the contribution of each feature subset, the feature-based approach attains the best area under the receiver operating characteristics curve (AUC) values, which are 78.6%, 72.2%, and 79.2% on the three data sets. When individual methods are used, we attain the best AUC values of 82.1%, 73.2%, and 77.0% using the subset tree kernel, shortest dependency path kernel, and feature-based approach on the three data sets, respectively. When using classifier ensembles, we achieve the best AUC values of 84.5%, 77.3%, and 84.5% on the three data sets, outperforming the baselines. Our experimental results indicate that ADE extraction from social media can benefit from feature selection. With respect to the effectiveness of different feature subsets, lexical features and semantic features can enhance the ADE extraction capability. Kernel-based approaches, which can stay away from the feature sparsity issue, are qualified to address the ADE extraction problem. Combining different individual classifiers using suitable combination methods can further enhance the ADE extraction effectiveness. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Blood flow problem in the presence of magnetic particles through a circular cylinder using Caputo-Fabrizio fractional derivative

    NASA Astrophysics Data System (ADS)

    Uddin, Salah; Mohamad, Mahathir; Khalid, Kamil; Abdulhammed, Mohammed; Saifullah Rusiman, Mohd; Che – Him, Norziha; Roslan, Rozaini

    2018-04-01

    In this paper, the flow of blood mixed with magnetic particles subjected to uniform transverse magnetic field and pressure gradient in an axisymmetric circular cylinder is studied by using a new trend of fractional derivative without singular kernel. The governing equations are fractional partial differential equations derived based on the Caputo-Fabrizio time-fractional derivatives NFDt. The current result agrees considerably well with that of the previous Caputo fractional derivatives UFDt.

  3. An improved weakly compressible SPH method for simulating free surface flows of viscous and viscoelastic fluids

    NASA Astrophysics Data System (ADS)

    Xu, Xiaoyang; Deng, Xiao-Long

    2016-04-01

    In this paper, an improved weakly compressible smoothed particle hydrodynamics (SPH) method is proposed to simulate transient free surface flows of viscous and viscoelastic fluids. The improved SPH algorithm includes the implementation of (i) the mixed symmetric correction of kernel gradient to improve the accuracy and stability of traditional SPH method and (ii) the Rusanov flux in the continuity equation for improving the computation of pressure distributions in the dynamics of liquids. To assess the effectiveness of the improved SPH algorithm, a number of numerical examples including the stretching of an initially circular water drop, dam breaking flow against a vertical wall, the impact of viscous and viscoelastic fluid drop with a rigid wall, and the extrudate swell of viscoelastic fluid have been presented and compared with available numerical and experimental data in literature. The convergent behavior of the improved SPH algorithm has also been studied by using different number of particles. All numerical results demonstrate that the improved SPH algorithm proposed here is capable of modeling free surface flows of viscous and viscoelastic fluids accurately and stably, and even more important, also computing an accurate and little oscillatory pressure field.

  4. Multi-PSF fusion in image restoration of range-gated systems

    NASA Astrophysics Data System (ADS)

    Wang, Canjin; Sun, Tao; Wang, Tingfeng; Miao, Xikui; Wang, Rui

    2018-07-01

    For the task of image restoration, an accurate estimation of degrading PSF/kernel is the premise of recovering a visually superior image. The imaging process of range-gated imaging system in atmosphere associates with lots of factors, such as back scattering, background radiation, diffraction limit and the vibration of the platform. On one hand, due to the difficulty of constructing models for all factors, the kernels from physical-model based methods are not strictly accurate and practical. On the other hand, there are few strong edges in images, which brings significant errors to most of image-feature-based methods. Since different methods focus on different formation factors of the kernel, their results often complement each other. Therefore, we propose an approach which combines physical model with image features. With an fusion strategy using GCRF (Gaussian Conditional Random Fields) framework, we get a final kernel which is closer to the actual one. Aiming at the problem that ground-truth image is difficult to obtain, we then propose a semi data-driven fusion method in which different data sets are used to train fusion parameters. Finally, a semi blind restoration strategy based on EM (Expectation Maximization) and RL (Richardson-Lucy) algorithm is proposed. Our methods not only models how the lasers transfer in the atmosphere and imaging in the ICCD (Intensified CCD) plane, but also quantifies other unknown degraded factors using image-based methods, revealing how multiple kernel elements interact with each other. The experimental results demonstrate that our method achieves better performance than state-of-the-art restoration approaches.

  5. Finite-frequency tomography using adjoint methods-Methodology and examples using membrane surface waves

    NASA Astrophysics Data System (ADS)

    Tape, Carl; Liu, Qinya; Tromp, Jeroen

    2007-03-01

    We employ adjoint methods in a series of synthetic seismic tomography experiments to recover surface wave phase-speed models of southern California. Our approach involves computing the Fréchet derivative for tomographic inversions via the interaction between a forward wavefield, propagating from the source to the receivers, and an `adjoint' wavefield, propagating from the receivers back to the source. The forward wavefield is computed using a 2-D spectral-element method (SEM) and a phase-speed model for southern California. A `target' phase-speed model is used to generate the `data' at the receivers. We specify an objective or misfit function that defines a measure of misfit between data and synthetics. For a given receiver, the remaining differences between data and synthetics are time-reversed and used as the source of the adjoint wavefield. For each earthquake, the interaction between the regular and adjoint wavefields is used to construct finite-frequency sensitivity kernels, which we call event kernels. An event kernel may be thought of as a weighted sum of phase-specific (e.g. P) banana-doughnut kernels, with weights determined by the measurements. The overall sensitivity is simply the sum of event kernels, which defines the misfit kernel. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, that is, the Fréchet derivative. A non-linear conjugate gradient algorithm is used to iteratively improve the model while reducing the misfit function. We illustrate the construction of the gradient and the minimization algorithm, and consider various tomographic experiments, including source inversions, structural inversions and joint source-structure inversions. Finally, we draw connections between classical Hessian-based tomography and gradient-based adjoint tomography.

  6. Classification of corn kernels contaminated with aflatoxins using fluorescence and reflectance hyperspectral images analysis

    NASA Astrophysics Data System (ADS)

    Zhu, Fengle; Yao, Haibo; Hruska, Zuzana; Kincaid, Russell; Brown, Robert; Bhatnagar, Deepak; Cleveland, Thomas

    2015-05-01

    Aflatoxins are secondary metabolites produced by certain fungal species of the Aspergillus genus. Aflatoxin contamination remains a problem in agricultural products due to its toxic and carcinogenic properties. Conventional chemical methods for aflatoxin detection are time-consuming and destructive. This study employed fluorescence and reflectance visible near-infrared (VNIR) hyperspectral images to classify aflatoxin contaminated corn kernels rapidly and non-destructively. Corn ears were artificially inoculated in the field with toxigenic A. flavus spores at the early dough stage of kernel development. After harvest, a total of 300 kernels were collected from the inoculated ears. Fluorescence hyperspectral imagery with UV excitation and reflectance hyperspectral imagery with halogen illumination were acquired on both endosperm and germ sides of kernels. All kernels were then subjected to chemical analysis individually to determine aflatoxin concentrations. A region of interest (ROI) was created for each kernel to extract averaged spectra. Compared with healthy kernels, fluorescence spectral peaks for contaminated kernels shifted to longer wavelengths with lower intensity, and reflectance values for contaminated kernels were lower with a different spectral shape in 700-800 nm region. Principal component analysis was applied for data compression before classifying kernels into contaminated and healthy based on a 20 ppb threshold utilizing the K-nearest neighbors algorithm. The best overall accuracy achieved was 92.67% for germ side in the fluorescence data analysis. The germ side generally performed better than endosperm side. Fluorescence and reflectance image data achieved similar accuracy.

  7. Evaluating Equating Results: Percent Relative Error for Chained Kernel Equating

    ERIC Educational Resources Information Center

    Jiang, Yanlin; von Davier, Alina A.; Chen, Haiwen

    2012-01-01

    This article presents a method for evaluating equating results. Within the kernel equating framework, the percent relative error (PRE) for chained equipercentile equating was computed under the nonequivalent groups with anchor test (NEAT) design. The method was applied to two data sets to obtain the PRE, which can be used to measure equating…

  8. New KF-PP-SVM classification method for EEG in brain-computer interfaces.

    PubMed

    Yang, Banghua; Han, Zhijun; Zan, Peng; Wang, Qian

    2014-01-01

    Classification methods are a crucial direction in the current study of brain-computer interfaces (BCIs). To improve the classification accuracy for electroencephalogram (EEG) signals, a novel KF-PP-SVM (kernel fisher, posterior probability, and support vector machine) classification method is developed. Its detailed process entails the use of common spatial patterns to obtain features, based on which the within-class scatter is calculated. Then the scatter is added into the kernel function of a radial basis function to construct a new kernel function. This new kernel is integrated into the SVM to obtain a new classification model. Finally, the output of SVM is calculated based on posterior probability and the final recognition result is obtained. To evaluate the effectiveness of the proposed KF-PP-SVM method, EEG data collected from laboratory are processed with four different classification schemes (KF-PP-SVM, KF-SVM, PP-SVM, and SVM). The results showed that the overall average improvements arising from the use of the KF-PP-SVM scheme as opposed to KF-SVM, PP-SVM and SVM schemes are 2.49%, 5.83 % and 6.49 % respectively.

  9. Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.

    PubMed

    Mohr, Johannes A; Jain, Brijnesh J; Obermayer, Klaus

    2008-09-01

    Quantitative structure activity relationship (QSAR) analysis is traditionally based on extracting a set of molecular descriptors and using them to build a predictive model. In this work, we propose a QSAR approach based directly on the similarity between the 3D structures of a set of molecules measured by a so-called molecule kernel, which is independent of the spatial prealignment of the compounds. Predictors can be build using the molecule kernel in conjunction with the potential support vector machine (P-SVM), a recently proposed machine learning method for dyadic data. The resulting models make direct use of the structural similarities between the compounds in the test set and a subset of the training set and do not require an explicit descriptor construction. We evaluated the predictive performance of the proposed method on one classification and four regression QSAR datasets and compared its results to the results reported in the literature for several state-of-the-art descriptor-based and 3D QSAR approaches. In this comparison, the proposed molecule kernel method performed better than the other QSAR methods.

  10. Computational investigation of intense short-wavelength laser interaction with rare gas clusters

    NASA Astrophysics Data System (ADS)

    Bigaouette, Nicolas

    Current Very High Temperature Reactor designs incorporate TRi-structural ISOtropic (TRISO) particle fuel, which consists of a spherical fissile fuel kernel surrounded by layers of pyrolytic carbon and silicon carbide. An internal sol-gel process forms the fuel kernel by dropping a cold precursor solution into a column of hot trichloroethylene (TCE). The temperature difference drives the liquid precursor solution to precipitate the metal solution into gel spheres before reaching the bottom of a production column. Over time, gelation byproducts inhibit complete gelation and the TCE must be purified or discarded. The resulting mixed-waste stream is expensive to dispose of or recycle, and changing the forming fluid to a non-hazardous alternative could greatly improve the economics of kernel production. Selection criteria for a replacement forming fluid narrowed a list of ~10,800 chemicals to yield ten potential replacements. The physical properties of the alternatives were measured as a function of temperature between 25 °C and 80 °C. Calculated terminal velocities and heat transfer rates provided an overall column height approximation. 1-bromotetradecane, 1-chlorooctadecane, and 1-iodododecane were selected for further testing, and surrogate yttria-stabilized zirconia (YSZ) kernels were produced using these selected fluids. The kernels were characterized for density, geometry, composition, and crystallinity and compared to a control group of kernels produced in silicone oil. Production in 1-bromotetradecane showed positive results, producing dense (93.8 %TD) and spherical (1.03 aspect ratio) kernels, but proper gelation did not occur in the other alternative forming fluids. With many of the YSZ kernels not properly gelling within the length of the column, this project further investigated the heat transfer properties of the forming fluids and precursor solution. A sensitivity study revealed that the heat transfer properties of the precursor solution have the strongest impact on gelation time. A COMSOL heat transfer model estimated an effective thermal diffusivity range for the YSZ precursor solution as 1.13x10 -8 m2/s to 3.35x10-8 m 2/s, which is an order of magnitude smaller than the value used in previous studies. 1-bromotetradecane is recommended for further investigation with the production of uranium-based kernels.

  11. Utilization of spectral-spatial characteristics in shortwave infrared hyperspectral images to classify and identify fungi-contaminated peanuts.

    PubMed

    Qiao, Xiaojun; Jiang, Jinbao; Qi, Xiaotong; Guo, Haiqiang; Yuan, Deshuai

    2017-04-01

    It's well-known fungi-contaminated peanuts contain potent carcinogen. Efficiently identifying and separating the contaminated can help prevent aflatoxin entering in food chain. In this study, shortwave infrared (SWIR) hyperspectral images for identifying the prepared contaminated kernels. Feature selection method of analysis of variance (ANOVA) and feature extraction method of nonparametric weighted feature extraction (NWFE) were used to concentrate spectral information into a subspace where contaminated and healthy peanuts can have favorable separability. Then, peanut pixels were classified using SVM. Moreover, image segmentation method of region growing was applied to segment the image as kernel-scale patches and meanwhile to number the kernels. The result shows that pixel-wise classification accuracies are 99.13% for breed A, 96.72% for B and 99.73% for C in learning images, and are 96.32%, 94.2% and 97.51% in validation images. Contaminated peanuts were correctly marked as aberrant kernels in both learning images and validation images. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Sub-Network Kernels for Measuring Similarity of Brain Connectivity Networks in Disease Diagnosis.

    PubMed

    Jie, Biao; Liu, Mingxia; Zhang, Daoqiang; Shen, Dinggang

    2018-05-01

    As a simple representation of interactions among distributed brain regions, brain networks have been widely applied to automated diagnosis of brain diseases, such as Alzheimer's disease (AD) and its early stage, i.e., mild cognitive impairment (MCI). In brain network analysis, a challenging task is how to measure the similarity between a pair of networks. Although many graph kernels (i.e., kernels defined on graphs) have been proposed for measuring the topological similarity of a pair of brain networks, most of them are defined using general graphs, thus ignoring the uniqueness of each node in brain networks. That is, each node in a brain network denotes a particular brain region, which is a specific characteristics of brain networks. Accordingly, in this paper, we construct a novel sub-network kernel for measuring the similarity between a pair of brain networks and then apply it to brain disease classification. Different from current graph kernels, our proposed sub-network kernel not only takes into account the inherent characteristic of brain networks, but also captures multi-level (from local to global) topological properties of nodes in brain networks, which are essential for defining the similarity measure of brain networks. To validate the efficacy of our method, we perform extensive experiments on subjects with baseline functional magnetic resonance imaging data obtained from the Alzheimer's disease neuroimaging initiative database. Experimental results demonstrate that the proposed method outperforms several state-of-the-art graph-based methods in MCI classification.

  13. Modeling RF Fields in Hot Plasmas with Parallel Full Wave Code

    NASA Astrophysics Data System (ADS)

    Spencer, Andrew; Svidzinski, Vladimir; Zhao, Liangji; Galkin, Sergei; Kim, Jin-Soo

    2016-10-01

    FAR-TECH, Inc. is developing a suite of full wave RF plasma codes. It is based on a meshless formulation in configuration space with adapted cloud of computational points (CCP) capability and using the hot plasma conductivity kernel to model the nonlocal plasma dielectric response. The conductivity kernel is calculated by numerically integrating the linearized Vlasov equation along unperturbed particle trajectories. Work has been done on the following calculations: 1) the conductivity kernel in hot plasmas, 2) a monitor function based on analytic solutions of the cold-plasma dispersion relation, 3) an adaptive CCP based on the monitor function, 4) stencils to approximate the wave equations on the CCP, 5) the solution to the full wave equations in the cold-plasma model in tokamak geometry for ECRH and ICRH range of frequencies, and 6) the solution to the wave equations using the calculated hot plasma conductivity kernel. We will present results on using a meshless formulation on adaptive CCP to solve the wave equations and on implementing the non-local hot plasma dielectric response to the wave equations. The presentation will include numerical results of wave propagation and absorption in the cold and hot tokamak plasma RF models, using DIII-D geometry and plasma parameters. Work is supported by the U.S. DOE SBIR program.

  14. Transient and asymptotic behaviour of the binary breakage problem

    NASA Astrophysics Data System (ADS)

    Mantzaris, Nikos V.

    2005-06-01

    The general binary breakage problem with power-law breakage functions and two families of symmetric and asymmetric breakage kernels is studied in this work. A useful transformation leads to an equation that predicts self-similar solutions in its asymptotic limit and offers explicit knowledge of the mean size and particle density at each point in dimensionless time. A novel moving boundary algorithm in the transformed coordinate system is developed, allowing the accurate prediction of the full transient behaviour of the system from the initial condition up to the point where self-similarity is achieved, and beyond if necessary. The numerical algorithm is very rapid and its results are in excellent agreement with known analytical solutions. In the case of the symmetric breakage kernels only unimodal, self-similar number density functions are obtained asymptotically for all parameter values and independent of the initial conditions, while in the case of asymmetric breakage kernels, bimodality appears for high degrees of asymmetry and sharp breakage functions. For symmetric and discrete breakage kernels, self-similarity is not achieved. The solution exhibits sustained oscillations with amplitude that depends on the initial condition and the sharpness of the breakage mechanism, while the period is always fixed and equal to ln 2 with respect to dimensionless time.

  15. Rare variant testing across methods and thresholds using the multi-kernel sequence kernel association test (MK-SKAT).

    PubMed

    Urrutia, Eugene; Lee, Seunggeun; Maity, Arnab; Zhao, Ni; Shen, Judong; Li, Yun; Wu, Michael C

    Analysis of rare genetic variants has focused on region-based analysis wherein a subset of the variants within a genomic region is tested for association with a complex trait. Two important practical challenges have emerged. First, it is difficult to choose which test to use. Second, it is unclear which group of variants within a region should be tested. Both depend on the unknown true state of nature. Therefore, we develop the Multi-Kernel SKAT (MK-SKAT) which tests across a range of rare variant tests and groupings. Specifically, we demonstrate that several popular rare variant tests are special cases of the sequence kernel association test which compares pair-wise similarity in trait value to similarity in the rare variant genotypes between subjects as measured through a kernel function. Choosing a particular test is equivalent to choosing a kernel. Similarly, choosing which group of variants to test also reduces to choosing a kernel. Thus, MK-SKAT uses perturbation to test across a range of kernels. Simulations and real data analyses show that our framework controls type I error while maintaining high power across settings: MK-SKAT loses power when compared to the kernel for a particular scenario but has much greater power than poor choices.

  16. Pathway-Based Kernel Boosting for the Analysis of Genome-Wide Association Studies

    PubMed Central

    Manitz, Juliane; Burger, Patricia; Amos, Christopher I.; Chang-Claude, Jenny; Wichmann, Heinz-Erich; Kneib, Thomas; Bickeböller, Heike

    2017-01-01

    The analysis of genome-wide association studies (GWAS) benefits from the investigation of biologically meaningful gene sets, such as gene-interaction networks (pathways). We propose an extension to a successful kernel-based pathway analysis approach by integrating kernel functions into a powerful algorithmic framework for variable selection, to enable investigation of multiple pathways simultaneously. We employ genetic similarity kernels from the logistic kernel machine test (LKMT) as base-learners in a boosting algorithm. A model to explain case-control status is created iteratively by selecting pathways that improve its prediction ability. We evaluated our method in simulation studies adopting 50 pathways for different sample sizes and genetic effect strengths. Additionally, we included an exemplary application of kernel boosting to a rheumatoid arthritis and a lung cancer dataset. Simulations indicate that kernel boosting outperforms the LKMT in certain genetic scenarios. Applications to GWAS data on rheumatoid arthritis and lung cancer resulted in sparse models which were based on pathways interpretable in a clinical sense. Kernel boosting is highly flexible in terms of considered variables and overcomes the problem of multiple testing. Additionally, it enables the prediction of clinical outcomes. Thus, kernel boosting constitutes a new, powerful tool in the analysis of GWAS data and towards the understanding of biological processes involved in disease susceptibility. PMID:28785300

  17. Pathway-Based Kernel Boosting for the Analysis of Genome-Wide Association Studies.

    PubMed

    Friedrichs, Stefanie; Manitz, Juliane; Burger, Patricia; Amos, Christopher I; Risch, Angela; Chang-Claude, Jenny; Wichmann, Heinz-Erich; Kneib, Thomas; Bickeböller, Heike; Hofner, Benjamin

    2017-01-01

    The analysis of genome-wide association studies (GWAS) benefits from the investigation of biologically meaningful gene sets, such as gene-interaction networks (pathways). We propose an extension to a successful kernel-based pathway analysis approach by integrating kernel functions into a powerful algorithmic framework for variable selection, to enable investigation of multiple pathways simultaneously. We employ genetic similarity kernels from the logistic kernel machine test (LKMT) as base-learners in a boosting algorithm. A model to explain case-control status is created iteratively by selecting pathways that improve its prediction ability. We evaluated our method in simulation studies adopting 50 pathways for different sample sizes and genetic effect strengths. Additionally, we included an exemplary application of kernel boosting to a rheumatoid arthritis and a lung cancer dataset. Simulations indicate that kernel boosting outperforms the LKMT in certain genetic scenarios. Applications to GWAS data on rheumatoid arthritis and lung cancer resulted in sparse models which were based on pathways interpretable in a clinical sense. Kernel boosting is highly flexible in terms of considered variables and overcomes the problem of multiple testing. Additionally, it enables the prediction of clinical outcomes. Thus, kernel boosting constitutes a new, powerful tool in the analysis of GWAS data and towards the understanding of biological processes involved in disease susceptibility.

  18. Generation and optimization of superpixels as image processing kernels for Jones matrix optical coherence tomography

    PubMed Central

    Miyazawa, Arata; Hong, Young-Joo; Makita, Shuichi; Kasaragod, Deepa; Yasuno, Yoshiaki

    2017-01-01

    Jones matrix-based polarization sensitive optical coherence tomography (JM-OCT) simultaneously measures optical intensity, birefringence, degree of polarization uniformity, and OCT angiography. The statistics of the optical features in a local region, such as the local mean of the OCT intensity, are frequently used for image processing and the quantitative analysis of JM-OCT. Conventionally, local statistics have been computed with fixed-size rectangular kernels. However, this results in a trade-off between image sharpness and statistical accuracy. We introduce a superpixel method to JM-OCT for generating the flexible kernels of local statistics. A superpixel is a cluster of image pixels that is formed by the pixels’ spatial and signal value proximities. An algorithm for superpixel generation specialized for JM-OCT and its optimization methods are presented in this paper. The spatial proximity is in two-dimensional cross-sectional space and the signal values are the four optical features. Hence, the superpixel method is a six-dimensional clustering technique for JM-OCT pixels. The performance of the JM-OCT superpixels and its optimization methods are evaluated in detail using JM-OCT datasets of posterior eyes. The superpixels were found to well preserve tissue structures, such as layer structures, sclera, vessels, and retinal pigment epithelium. And hence, they are more suitable for local statistics kernels than conventional uniform rectangular kernels. PMID:29082073

  19. An Evaluation of the Kernel Equating Method: A Special Study with Pseudotests Constructed from Real Test Data. Research Report. ETS RR-06-02

    ERIC Educational Resources Information Center

    von Davier, Alina A.; Holland, Paul W.; Livingston, Samuel A.; Casabianca, Jodi; Grant, Mary C.; Martin, Kathleen

    2006-01-01

    This study examines how closely the kernel equating (KE) method (von Davier, Holland, & Thayer, 2004a) approximates the results of other observed-score equating methods--equipercentile and linear equatings. The study used pseudotests constructed of item responses from a real test to simulate three equating designs: an equivalent groups (EG)…

  20. DOE Office of Scientific and Technical Information (OSTI.GOV)

    O'Brien, Travis A.; Kashinath, Karthik; Cavanaugh, Nicholas R.

    Numerous facets of scientific research implicitly or explicitly call for the estimation of probability densities. Histograms and kernel density estimates (KDEs) are two commonly used techniques for estimating such information, with the KDE generally providing a higher fidelity representation of the probability density function (PDF). Both methods require specification of either a bin width or a kernel bandwidth. While techniques exist for choosing the kernel bandwidth optimally and objectively, they are computationally intensive, since they require repeated calculation of the KDE. A solution for objectively and optimally choosing both the kernel shape and width has recently been developed by Bernacchiamore » and Pigolotti (2011). While this solution theoretically applies to multidimensional KDEs, it has not been clear how to practically do so. A method for practically extending the Bernacchia-Pigolotti KDE to multidimensions is introduced. This multidimensional extension is combined with a recently-developed computational improvement to their method that makes it computationally efficient: a 2D KDE on 10 5 samples only takes 1 s on a modern workstation. This fast and objective KDE method, called the fastKDE method, retains the excellent statistical convergence properties that have been demonstrated for univariate samples. The fastKDE method exhibits statistical accuracy that is comparable to state-of-the-science KDE methods publicly available in R, and it produces kernel density estimates several orders of magnitude faster. The fastKDE method does an excellent job of encoding covariance information for bivariate samples. This property allows for direct calculation of conditional PDFs with fastKDE. It is demonstrated how this capability might be leveraged for detecting non-trivial relationships between quantities in physical systems, such as transitional behavior.« less

  1. A Decision-Making Method with Grey Multi-Source Heterogeneous Data and Its Application in Green Supplier Selection

    PubMed Central

    Dang, Yaoguo; Mao, Wenxin

    2018-01-01

    In view of the multi-attribute decision-making problem that the attribute values are grey multi-source heterogeneous data, a decision-making method based on kernel and greyness degree is proposed. The definitions of kernel and greyness degree of an extended grey number in a grey multi-source heterogeneous data sequence are given. On this basis, we construct the kernel vector and greyness degree vector of the sequence to whiten the multi-source heterogeneous information, then a grey relational bi-directional projection ranking method is presented. Considering the multi-attribute multi-level decision structure and the causalities between attributes in decision-making problem, the HG-DEMATEL method is proposed to determine the hierarchical attribute weights. A green supplier selection example is provided to demonstrate the rationality and validity of the proposed method. PMID:29510521

  2. A Decision-Making Method with Grey Multi-Source Heterogeneous Data and Its Application in Green Supplier Selection.

    PubMed

    Sun, Huifang; Dang, Yaoguo; Mao, Wenxin

    2018-03-03

    In view of the multi-attribute decision-making problem that the attribute values are grey multi-source heterogeneous data, a decision-making method based on kernel and greyness degree is proposed. The definitions of kernel and greyness degree of an extended grey number in a grey multi-source heterogeneous data sequence are given. On this basis, we construct the kernel vector and greyness degree vector of the sequence to whiten the multi-source heterogeneous information, then a grey relational bi-directional projection ranking method is presented. Considering the multi-attribute multi-level decision structure and the causalities between attributes in decision-making problem, the HG-DEMATEL method is proposed to determine the hierarchical attribute weights. A green supplier selection example is provided to demonstrate the rationality and validity of the proposed method.

  3. Improved dynamical scaling analysis using the kernel method for nonequilibrium relaxation.

    PubMed

    Echinaka, Yuki; Ozeki, Yukiyasu

    2016-10-01

    The dynamical scaling analysis for the Kosterlitz-Thouless transition in the nonequilibrium relaxation method is improved by the use of Bayesian statistics and the kernel method. This allows data to be fitted to a scaling function without using any parametric model function, which makes the results more reliable and reproducible and enables automatic and faster parameter estimation. Applying this method, the bootstrap method is introduced and a numerical discrimination for the transition type is proposed.

  4. Brownian motion of a nano-colloidal particle: the role of the solvent.

    PubMed

    Torres-Carbajal, Alexis; Herrera-Velarde, Salvador; Castañeda-Priego, Ramón

    2015-07-15

    Brownian motion is a feature of colloidal particles immersed in a liquid-like environment. Usually, it can be described by means of the generalised Langevin equation (GLE) within the framework of the Mori theory. In principle, all quantities that appear in the GLE can be calculated from the molecular information of the whole system, i.e., colloids and solvent molecules. In this work, by means of extensive Molecular Dynamics simulations, we study the effects of the microscopic details and the thermodynamic state of the solvent on the movement of a single nano-colloid. In particular, we consider a two-dimensional model system in which the mass and size of the colloid are two and one orders of magnitude, respectively, larger than the ones associated with the solvent molecules. The latter ones interact via a Lennard-Jones-type potential to tune the nature of the solvent, i.e., it can be either repulsive or attractive. We choose the linear momentum of the Brownian particle as the observable of interest in order to fully describe the Brownian motion within the Mori framework. We particularly focus on the colloid diffusion at different solvent densities and two temperature regimes: high and low (near the critical point) temperatures. To reach our goal, we have rewritten the GLE as a second kind Volterra integral in order to compute the memory kernel in real space. With this kernel, we evaluate the momentum-fluctuating force correlation function, which is of particular relevance since it allows us to establish when the stationarity condition has been reached. Our findings show that even at high temperatures, the details of the attractive interaction potential among solvent molecules induce important changes in the colloid dynamics. Additionally, near the critical point, the dynamical scenario becomes more complex; all the correlation functions decay slowly in an extended time window, however, the memory kernel seems to be only a function of the solvent density. Thus, the explicit inclusion of the solvent in the description of Brownian motion allows us to better understand the behaviour of the memory kernel at those thermodynamic states near the critical region without any further approximation. This information is useful to elaborate more realistic descriptions of Brownian motion that take into account the particular details of the host medium.

  5. Prediction of Heterodimeric Protein Complexes from Weighted Protein-Protein Interaction Networks Using Novel Features and Kernel Functions

    PubMed Central

    Ruan, Peiying; Hayashida, Morihiro; Maruyama, Osamu; Akutsu, Tatsuya

    2013-01-01

    Since many proteins express their functional activity by interacting with other proteins and forming protein complexes, it is very useful to identify sets of proteins that form complexes. For that purpose, many prediction methods for protein complexes from protein-protein interactions have been developed such as MCL, MCODE, RNSC, PCP, RRW, and NWE. These methods have dealt with only complexes with size of more than three because the methods often are based on some density of subgraphs. However, heterodimeric protein complexes that consist of two distinct proteins occupy a large part according to several comprehensive databases of known complexes. In this paper, we propose several feature space mappings from protein-protein interaction data, in which each interaction is weighted based on reliability. Furthermore, we make use of prior knowledge on protein domains to develop feature space mappings, domain composition kernel and its combination kernel with our proposed features. We perform ten-fold cross-validation computational experiments. These results suggest that our proposed kernel considerably outperforms the naive Bayes-based method, which is the best existing method for predicting heterodimeric protein complexes. PMID:23776458

  6. Richardson-Lucy deblurring for the star scene under a thinning motion path

    NASA Astrophysics Data System (ADS)

    Su, Laili; Shao, Xiaopeng; Wang, Lin; Wang, Haixin; Huang, Yining

    2015-05-01

    This paper puts emphasis on how to model and correct image blur that arises from a camera's ego motion while observing a distant star scene. Concerning the significance of accurate estimation of point spread function (PSF), a new method is employed to obtain blur kernel by thinning star motion path. In particular, how the blurred star image can be corrected to reconstruct the clear scene with a thinning motion blur model which describes the camera's path is presented. This thinning motion path to build blur kernel model is more effective at modeling the spatially motion blur introduced by camera's ego motion than conventional blind estimation of kernel-based PSF parameterization. To gain the reconstructed image, firstly, an improved thinning algorithm is used to obtain the star point trajectory, so as to extract the blur kernel of the motion-blurred star image. Then how motion blur model can be incorporated into the Richardson-Lucy (RL) deblurring algorithm, which reveals its overall effectiveness, is detailed. In addition, compared with the conventional estimated blur kernel, experimental results show that the proposed method of using thinning algorithm to get the motion blur kernel is of less complexity, higher efficiency and better accuracy, which contributes to better restoration of the motion-blurred star images.

  7. Grey Language Hesitant Fuzzy Group Decision Making Method Based on Kernel and Grey Scale

    PubMed Central

    Diao, Yuzhu; Hu, Aqin

    2018-01-01

    Based on grey language multi-attribute group decision making, a kernel and grey scale scoring function is put forward according to the definition of grey language and the meaning of the kernel and grey scale. The function introduces grey scale into the decision-making method to avoid information distortion. This method is applied to the grey language hesitant fuzzy group decision making, and the grey correlation degree is used to sort the schemes. The effectiveness and practicability of the decision-making method are further verified by the industry chain sustainable development ability evaluation example of a circular economy. Moreover, its simplicity and feasibility are verified by comparing it with the traditional grey language decision-making method and the grey language hesitant fuzzy weighted arithmetic averaging (GLHWAA) operator integration method after determining the index weight based on the grey correlation. PMID:29498699

  8. Grey Language Hesitant Fuzzy Group Decision Making Method Based on Kernel and Grey Scale.

    PubMed

    Li, Qingsheng; Diao, Yuzhu; Gong, Zaiwu; Hu, Aqin

    2018-03-02

    Based on grey language multi-attribute group decision making, a kernel and grey scale scoring function is put forward according to the definition of grey language and the meaning of the kernel and grey scale. The function introduces grey scale into the decision-making method to avoid information distortion. This method is applied to the grey language hesitant fuzzy group decision making, and the grey correlation degree is used to sort the schemes. The effectiveness and practicability of the decision-making method are further verified by the industry chain sustainable development ability evaluation example of a circular economy. Moreover, its simplicity and feasibility are verified by comparing it with the traditional grey language decision-making method and the grey language hesitant fuzzy weighted arithmetic averaging (GLHWAA) operator integration method after determining the index weight based on the grey correlation.

  9. A KDE-Based Random Walk Method for Modeling Reactive Transport With Complex Kinetics in Porous Media

    NASA Astrophysics Data System (ADS)

    Sole-Mari, Guillem; Fernà ndez-Garcia, Daniel; Rodríguez-Escales, Paula; Sanchez-Vila, Xavier

    2017-11-01

    In recent years, a large body of the literature has been devoted to study reactive transport of solutes in porous media based on pure Lagrangian formulations. Such approaches have also been extended to accommodate second-order bimolecular reactions, in which the reaction rate is proportional to the concentrations of the reactants. Rather, in some cases, chemical reactions involving two reactants follow more complicated rate laws. Some examples are (1) reaction rate laws written in terms of powers of concentrations, (2) redox reactions incorporating a limiting term (e.g., Michaelis-Menten), or (3) any reaction where the activity coefficients vary with the concentration of the reactants, just to name a few. We provide a methodology to account for complex kinetic bimolecular reactions in a fully Lagrangian framework where each particle represents a fraction of the total mass of a specific solute. The method, built as an extension to the second-order case, is based on the concept of optimal Kernel Density Estimator, which allows the concentrations to be written in terms of particle locations, hence transferring the concept of reaction rate to that of particle location distribution. By doing so, we can update the probability of particles reacting without the need to fully reconstruct the concentration maps. The performance and convergence of the method is tested for several illustrative examples that simulate the Advection-Dispersion-Reaction Equation in a 1-D homogeneous column. Finally, a 2-D application example is presented evaluating the need of fully describing non-bilinear chemical kinetics in a randomly heterogeneous porous medium.

  10. Determination of active ingredients in corn silk, leaf, and kernel by capillary electrophoresis with electrochemicaI detection.

    PubMed

    Lin, Miao; Chu, Qing-Cui; Tian, Xiu-Hui; Ye, Jian-Nong

    2007-01-01

    Corn has been known for its accumulation of flavones and phenolic acids. However, many parts of corn, except kernel, have not drawn much attention. In this work, a method based on capillary zone electrophoresis with electrochemical detection has been used for the separation and determination of epicatechin, rutin, ascorbic acid (Vc), kaempferol, chlorogenic acid, and quercetin in corn silk, leaf, and kernel. The distribution comparison of the ingredients among silk, leaf, and kernel is discussed. Several important factors--including running buffer acidity, separation voltage, and working electrode potential--were evaluated to acquire the optimum analysis conditions. Under the optimum conditions, the analytes could be well separated within 19 min in a 40-mmol/L borate buffer (pH 9.2). The response was linear over three orders of magnitude with detection limits (S/N = 3) ranging from 4.97 x 10(-8) to 9.75 x 10(-8) g/mL. The method has been successfully applied for the analysis of corn silk, leaf, and kernel with satisfactory results.

  11. Kernel-based least squares policy iteration for reinforcement learning.

    PubMed

    Xu, Xin; Hu, Dewen; Lu, Xicheng

    2007-07-01

    In this paper, we present a kernel-based least squares policy iteration (KLSPI) algorithm for reinforcement learning (RL) in large or continuous state spaces, which can be used to realize adaptive feedback control of uncertain dynamic systems. By using KLSPI, near-optimal control policies can be obtained without much a priori knowledge on dynamic models of control plants. In KLSPI, Mercer kernels are used in the policy evaluation of a policy iteration process, where a new kernel-based least squares temporal-difference algorithm called KLSTD-Q is proposed for efficient policy evaluation. To keep the sparsity and improve the generalization ability of KLSTD-Q solutions, a kernel sparsification procedure based on approximate linear dependency (ALD) is performed. Compared to the previous works on approximate RL methods, KLSPI makes two progresses to eliminate the main difficulties of existing results. One is the better convergence and (near) optimality guarantee by using the KLSTD-Q algorithm for policy evaluation with high precision. The other is the automatic feature selection using the ALD-based kernel sparsification. Therefore, the KLSPI algorithm provides a general RL method with generalization performance and convergence guarantee for large-scale Markov decision problems (MDPs). Experimental results on a typical RL task for a stochastic chain problem demonstrate that KLSPI can consistently achieve better learning efficiency and policy quality than the previous least squares policy iteration (LSPI) algorithm. Furthermore, the KLSPI method was also evaluated on two nonlinear feedback control problems, including a ship heading control problem and the swing up control of a double-link underactuated pendulum called acrobot. Simulation results illustrate that the proposed method can optimize controller performance using little a priori information of uncertain dynamic systems. It is also demonstrated that KLSPI can be applied to online learning control by incorporating an initial controller to ensure online performance.

  12. A Fast Multiple-Kernel Method With Applications to Detect Gene-Environment Interaction.

    PubMed

    Marceau, Rachel; Lu, Wenbin; Holloway, Shannon; Sale, Michèle M; Worrall, Bradford B; Williams, Stephen R; Hsu, Fang-Chi; Tzeng, Jung-Ying

    2015-09-01

    Kernel machine (KM) models are a powerful tool for exploring associations between sets of genetic variants and complex traits. Although most KM methods use a single kernel function to assess the marginal effect of a variable set, KM analyses involving multiple kernels have become increasingly popular. Multikernel analysis allows researchers to study more complex problems, such as assessing gene-gene or gene-environment interactions, incorporating variance-component based methods for population substructure into rare-variant association testing, and assessing the conditional effects of a variable set adjusting for other variable sets. The KM framework is robust, powerful, and provides efficient dimension reduction for multifactor analyses, but requires the estimation of high dimensional nuisance parameters. Traditional estimation techniques, including regularization and the "expectation-maximization (EM)" algorithm, have a large computational cost and are not scalable to large sample sizes needed for rare variant analysis. Therefore, under the context of gene-environment interaction, we propose a computationally efficient and statistically rigorous "fastKM" algorithm for multikernel analysis that is based on a low-rank approximation to the nuisance effect kernel matrices. Our algorithm is applicable to various trait types (e.g., continuous, binary, and survival traits) and can be implemented using any existing single-kernel analysis software. Through extensive simulation studies, we show that our algorithm has similar performance to an EM-based KM approach for quantitative traits while running much faster. We also apply our method to the Vitamin Intervention for Stroke Prevention (VISP) clinical trial, examining gene-by-vitamin effects on recurrent stroke risk and gene-by-age effects on change in homocysteine level. © 2015 WILEY PERIODICALS, INC.

  13. Background field removal technique using regularization enabled sophisticated harmonic artifact reduction for phase data with varying kernel sizes.

    PubMed

    Kan, Hirohito; Kasai, Harumasa; Arai, Nobuyuki; Kunitomo, Hiroshi; Hirose, Yasujiro; Shibamoto, Yuta

    2016-09-01

    An effective background field removal technique is desired for more accurate quantitative susceptibility mapping (QSM) prior to dipole inversion. The aim of this study was to evaluate the accuracy of regularization enabled sophisticated harmonic artifact reduction for phase data with varying spherical kernel sizes (REV-SHARP) method using a three-dimensional head phantom and human brain data. The proposed REV-SHARP method used the spherical mean value operation and Tikhonov regularization in the deconvolution process, with varying 2-14mm kernel sizes. The kernel sizes were gradually reduced, similar to the SHARP with varying spherical kernel (VSHARP) method. We determined the relative errors and relationships between the true local field and estimated local field in REV-SHARP, VSHARP, projection onto dipole fields (PDF), and regularization enabled SHARP (RESHARP). Human experiment was also conducted using REV-SHARP, VSHARP, PDF, and RESHARP. The relative errors in the numerical phantom study were 0.386, 0.448, 0.838, and 0.452 for REV-SHARP, VSHARP, PDF, and RESHARP. REV-SHARP result exhibited the highest correlation between the true local field and estimated local field. The linear regression slopes were 1.005, 1.124, 0.988, and 0.536 for REV-SHARP, VSHARP, PDF, and RESHARP in regions of interest on the three-dimensional head phantom. In human experiments, no obvious errors due to artifacts were present in REV-SHARP. The proposed REV-SHARP is a new method combined with variable spherical kernel size and Tikhonov regularization. This technique might make it possible to be more accurate backgroud field removal and help to achive better accuracy of QSM. Copyright © 2016 Elsevier Inc. All rights reserved.

  14. Seismic Imaging of VTI, HTI and TTI based on Adjoint Methods

    NASA Astrophysics Data System (ADS)

    Rusmanugroho, H.; Tromp, J.

    2014-12-01

    Recent studies show that isotropic seismic imaging based on adjoint method reduces low-frequency artifact caused by diving waves, which commonly occur in two-wave wave-equation migration, such as Reverse Time Migration (RTM). Here, we derive new expressions of sensitivity kernels for Vertical Transverse Isotropy (VTI) using the Thomsen parameters (ɛ, δ, γ) plus the P-, and S-wave speeds (α, β) as well as via the Chen & Tromp (GJI 2005) parameters (A, C, N, L, F). For Horizontal Transverse Isotropy (HTI), these parameters depend on an azimuthal angle φ, where the tilt angle θ is equivalent to 90°, and for Tilted Transverse Isotropy (TTI), these parameters depend on both the azimuth and tilt angles. We calculate sensitivity kernels for each of these two approaches. Individual kernels ("images") are numerically constructed based on the interaction between the regular and adjoint wavefields in smoothed models which are in practice estimated through Full-Waveform Inversion (FWI). The final image is obtained as a result of summing all shots, which are well distributed to sample the target model properly. The impedance kernel, which is a sum of sensitivity kernels of density and the Thomsen or Chen & Tromp parameters, looks crisp and promising for seismic imaging. The other kernels suffer from low-frequency artifacts, similar to traditional seismic imaging conditions. However, all sensitivity kernels are important for estimating the gradient of the misfit function, which, in combination with a standard gradient-based inversion algorithm, is used to minimize the objective function in FWI.

  15. Omnibus Risk Assessment via Accelerated Failure Time Kernel Machine Modeling

    PubMed Central

    Sinnott, Jennifer A.; Cai, Tianxi

    2013-01-01

    Summary Integrating genomic information with traditional clinical risk factors to improve the prediction of disease outcomes could profoundly change the practice of medicine. However, the large number of potential markers and possible complexity of the relationship between markers and disease make it difficult to construct accurate risk prediction models. Standard approaches for identifying important markers often rely on marginal associations or linearity assumptions and may not capture non-linear or interactive effects. In recent years, much work has been done to group genes into pathways and networks. Integrating such biological knowledge into statistical learning could potentially improve model interpretability and reliability. One effective approach is to employ a kernel machine (KM) framework, which can capture nonlinear effects if nonlinear kernels are used (Scholkopf and Smola, 2002; Liu et al., 2007, 2008). For survival outcomes, KM regression modeling and testing procedures have been derived under a proportional hazards (PH) assumption (Li and Luan, 2003; Cai et al., 2011). In this paper, we derive testing and prediction methods for KM regression under the accelerated failure time model, a useful alternative to the PH model. We approximate the null distribution of our test statistic using resampling procedures. When multiple kernels are of potential interest, it may be unclear in advance which kernel to use for testing and estimation. We propose a robust Omnibus Test that combines information across kernels, and an approach for selecting the best kernel for estimation. The methods are illustrated with an application in breast cancer. PMID:24328713

  16. An improved robust blind motion de-blurring algorithm for remote sensing images

    NASA Astrophysics Data System (ADS)

    He, Yulong; Liu, Jin; Liang, Yonghui

    2016-10-01

    Shift-invariant motion blur can be modeled as a convolution of the true latent image and the blur kernel with additive noise. Blind motion de-blurring estimates a sharp image from a motion blurred image without the knowledge of the blur kernel. This paper proposes an improved edge-specific motion de-blurring algorithm which proved to be fit for processing remote sensing images. We find that an inaccurate blur kernel is the main factor to the low-quality restored images. To improve image quality, we do the following contributions. For the robust kernel estimation, first, we adapt the multi-scale scheme to make sure that the edge map could be constructed accurately; second, an effective salient edge selection method based on RTV (Relative Total Variation) is used to extract salient structure from texture; third, an alternative iterative method is introduced to perform kernel optimization, in this step, we adopt l1 and l0 norm as the priors to remove noise and ensure the continuity of blur kernel. For the final latent image reconstruction, an improved adaptive deconvolution algorithm based on TV-l2 model is used to recover the latent image; we control the regularization weight adaptively in different region according to the image local characteristics in order to preserve tiny details and eliminate noise and ringing artifacts. Some synthetic remote sensing images are used to test the proposed algorithm, and results demonstrate that the proposed algorithm obtains accurate blur kernel and achieves better de-blurring results.

  17. Structured Kernel Subspace Learning for Autonomous Robot Navigation.

    PubMed

    Kim, Eunwoo; Choi, Sungjoon; Oh, Songhwai

    2018-02-14

    This paper considers two important problems for autonomous robot navigation in a dynamic environment, where the goal is to predict pedestrian motion and control a robot with the prediction for safe navigation. While there are several methods for predicting the motion of a pedestrian and controlling a robot to avoid incoming pedestrians, it is still difficult to safely navigate in a dynamic environment due to challenges, such as the varying quality and complexity of training data with unwanted noises. This paper addresses these challenges simultaneously by proposing a robust kernel subspace learning algorithm based on the recent advances in nuclear-norm and l 1 -norm minimization. We model the motion of a pedestrian and the robot controller using Gaussian processes. The proposed method efficiently approximates a kernel matrix used in Gaussian process regression by learning low-rank structured matrix (with symmetric positive semi-definiteness) to find an orthogonal basis, which eliminates the effects of erroneous and inconsistent data. Based on structured kernel subspace learning, we propose a robust motion model and motion controller for safe navigation in dynamic environments. We evaluate the proposed robust kernel learning in various tasks, including regression, motion prediction, and motion control problems, and demonstrate that the proposed learning-based systems are robust against outliers and outperform existing regression and navigation methods.

  18. PARFUME Theory and Model basis Report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Darrell L. Knudson; Gregory K Miller; G.K. Miller

    2009-09-01

    The success of gas reactors depends upon the safety and quality of the coated particle fuel. The fuel performance modeling code PARFUME simulates the mechanical, thermal and physico-chemical behavior of fuel particles during irradiation. This report documents the theory and material properties behind vari¬ous capabilities of the code, which include: 1) various options for calculating CO production and fission product gas release, 2) an analytical solution for stresses in the coating layers that accounts for irradiation-induced creep and swelling of the pyrocarbon layers, 3) a thermal model that calculates a time-dependent temperature profile through a pebble bed sphere or amore » prismatic block core, as well as through the layers of each analyzed particle, 4) simulation of multi-dimensional particle behavior associated with cracking in the IPyC layer, partial debonding of the IPyC from the SiC, particle asphericity, and kernel migration (or amoeba effect), 5) two independent methods for determining particle failure probabilities, 6) a model for calculating release-to-birth (R/B) ratios of gaseous fission products that accounts for particle failures and uranium contamination in the fuel matrix, and 7) the evaluation of an accident condition, where a particle experiences a sudden change in temperature following a period of normal irradiation. The accident condi¬tion entails diffusion of fission products through the particle coating layers and through the fuel matrix to the coolant boundary. This document represents the initial version of the PARFUME Theory and Model Basis Report. More detailed descriptions will be provided in future revisions.« less

  19. Kernel learning at the first level of inference.

    PubMed

    Cawley, Gavin C; Talbot, Nicola L C

    2014-05-01

    Kernel learning methods, whether Bayesian or frequentist, typically involve multiple levels of inference, with the coefficients of the kernel expansion being determined at the first level and the kernel and regularisation parameters carefully tuned at the second level, a process known as model selection. Model selection for kernel machines is commonly performed via optimisation of a suitable model selection criterion, often based on cross-validation or theoretical performance bounds. However, if there are a large number of kernel parameters, as for instance in the case of automatic relevance determination (ARD), there is a substantial risk of over-fitting the model selection criterion, resulting in poor generalisation performance. In this paper we investigate the possibility of learning the kernel, for the Least-Squares Support Vector Machine (LS-SVM) classifier, at the first level of inference, i.e. parameter optimisation. The kernel parameters and the coefficients of the kernel expansion are jointly optimised at the first level of inference, minimising a training criterion with an additional regularisation term acting on the kernel parameters. The key advantage of this approach is that the values of only two regularisation parameters need be determined in model selection, substantially alleviating the problem of over-fitting the model selection criterion. The benefits of this approach are demonstrated using a suite of synthetic and real-world binary classification benchmark problems, where kernel learning at the first level of inference is shown to be statistically superior to the conventional approach, improves on our previous work (Cawley and Talbot, 2007) and is competitive with Multiple Kernel Learning approaches, but with reduced computational expense. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Kernel and Traditional Equipercentile Equating with Degrees of Presmoothing. Research Report. ETS RR-07-15

    ERIC Educational Resources Information Center

    Moses, Tim; Holland, Paul

    2007-01-01

    The purpose of this study was to empirically evaluate the impact of loglinear presmoothing accuracy on equating bias and variability across chained and post-stratification equating methods, kernel and percentile-rank continuization methods, and sample sizes. The results of evaluating presmoothing on equating accuracy generally agreed with those of…

  1. A scalable kernel-based semisupervised metric learning algorithm with out-of-sample generalization ability.

    PubMed

    Yeung, Dit-Yan; Chang, Hong; Dai, Guang

    2008-11-01

    In recent years, metric learning in the semisupervised setting has aroused a lot of research interest. One type of semisupervised metric learning utilizes supervisory information in the form of pairwise similarity or dissimilarity constraints. However, most methods proposed so far are either limited to linear metric learning or unable to scale well with the data set size. In this letter, we propose a nonlinear metric learning method based on the kernel approach. By applying low-rank approximation to the kernel matrix, our method can handle significantly larger data sets. Moreover, our low-rank approximation scheme can naturally lead to out-of-sample generalization. Experiments performed on both artificial and real-world data show very promising results.

  2. A kernel adaptive algorithm for quaternion-valued inputs.

    PubMed

    Paul, Thomas K; Ogunfunmi, Tokunbo

    2015-10-01

    The use of quaternion data can provide benefit in applications like robotics and image recognition, and particularly for performing transforms in 3-D space. Here, we describe a kernel adaptive algorithm for quaternions. A least mean square (LMS)-based method was used, resulting in the derivation of the quaternion kernel LMS (Quat-KLMS) algorithm. Deriving this algorithm required describing the idea of a quaternion reproducing kernel Hilbert space (RKHS), as well as kernel functions suitable with quaternions. A modified HR calculus for Hilbert spaces was used to find the gradient of cost functions defined on a quaternion RKHS. In addition, the use of widely linear (or augmented) filtering is proposed to improve performance. The benefit of the Quat-KLMS and widely linear forms in learning nonlinear transformations of quaternion data are illustrated with simulations.

  3. Genomic Prediction of Genotype × Environment Interaction Kernel Regression Models.

    PubMed

    Cuevas, Jaime; Crossa, José; Soberanis, Víctor; Pérez-Elizalde, Sergio; Pérez-Rodríguez, Paulino; Campos, Gustavo de Los; Montesinos-López, O A; Burgueño, Juan

    2016-11-01

    In genomic selection (GS), genotype × environment interaction (G × E) can be modeled by a marker × environment interaction (M × E). The G × E may be modeled through a linear kernel or a nonlinear (Gaussian) kernel. In this study, we propose using two nonlinear Gaussian kernels: the reproducing kernel Hilbert space with kernel averaging (RKHS KA) and the Gaussian kernel with the bandwidth estimated through an empirical Bayesian method (RKHS EB). We performed single-environment analyses and extended to account for G × E interaction (GBLUP-G × E, RKHS KA-G × E and RKHS EB-G × E) in wheat ( L.) and maize ( L.) data sets. For single-environment analyses of wheat and maize data sets, RKHS EB and RKHS KA had higher prediction accuracy than GBLUP for all environments. For the wheat data, the RKHS KA-G × E and RKHS EB-G × E models did show up to 60 to 68% superiority over the corresponding single environment for pairs of environments with positive correlations. For the wheat data set, the models with Gaussian kernels had accuracies up to 17% higher than that of GBLUP-G × E. For the maize data set, the prediction accuracy of RKHS EB-G × E and RKHS KA-G × E was, on average, 5 to 6% higher than that of GBLUP-G × E. The superiority of the Gaussian kernel models over the linear kernel is due to more flexible kernels that accounts for small, more complex marker main effects and marker-specific interaction effects. Copyright © 2016 Crop Science Society of America.

  4. End-use quality of CIMMYT-derived soft kernel durum wheat germplasm. II. Dough strength and pan bread quality

    USDA-ARS?s Scientific Manuscript database

    Durum wheat (Triticum turgidum ssp. durum) is considered unsuitable for the majority of commercial bread production because its weak gluten strength combined with flour particle size and flour starch damage after milling are not commensurate with hexaploid wheat flours. Recently a new durum cultivar...

  5. Inference of Spatio-Temporal Functions Over Graphs via Multikernel Kriged Kalman Filtering

    NASA Astrophysics Data System (ADS)

    Ioannidis, Vassilis N.; Romero, Daniel; Giannakis, Georgios B.

    2018-06-01

    Inference of space-time varying signals on graphs emerges naturally in a plethora of network science related applications. A frequently encountered challenge pertains to reconstructing such dynamic processes, given their values over a subset of vertices and time instants. The present paper develops a graph-aware kernel-based kriged Kalman filter that accounts for the spatio-temporal variations, and offers efficient online reconstruction, even for dynamically evolving network topologies. The kernel-based learning framework bypasses the need for statistical information by capitalizing on the smoothness that graph signals exhibit with respect to the underlying graph. To address the challenge of selecting the appropriate kernel, the proposed filter is combined with a multi-kernel selection module. Such a data-driven method selects a kernel attuned to the signal dynamics on-the-fly within the linear span of a pre-selected dictionary. The novel multi-kernel learning algorithm exploits the eigenstructure of Laplacian kernel matrices to reduce computational complexity. Numerical tests with synthetic and real data demonstrate the superior reconstruction performance of the novel approach relative to state-of-the-art alternatives.

  6. CLAss-Specific Subspace Kernel Representations and Adaptive Margin Slack Minimization for Large Scale Classification.

    PubMed

    Yu, Yinan; Diamantaras, Konstantinos I; McKelvey, Tomas; Kung, Sun-Yuan

    2018-02-01

    In kernel-based classification models, given limited computational power and storage capacity, operations over the full kernel matrix becomes prohibitive. In this paper, we propose a new supervised learning framework using kernel models for sequential data processing. The framework is based on two components that both aim at enhancing the classification capability with a subset selection scheme. The first part is a subspace projection technique in the reproducing kernel Hilbert space using a CLAss-specific Subspace Kernel representation for kernel approximation. In the second part, we propose a novel structural risk minimization algorithm called the adaptive margin slack minimization to iteratively improve the classification accuracy by an adaptive data selection. We motivate each part separately, and then integrate them into learning frameworks for large scale data. We propose two such frameworks: the memory efficient sequential processing for sequential data processing and the parallelized sequential processing for distributed computing with sequential data acquisition. We test our methods on several benchmark data sets and compared with the state-of-the-art techniques to verify the validity of the proposed techniques.

  7. Full Wave Parallel Code for Modeling RF Fields in Hot Plasmas

    NASA Astrophysics Data System (ADS)

    Spencer, Joseph; Svidzinski, Vladimir; Evstatiev, Evstati; Galkin, Sergei; Kim, Jin-Soo

    2015-11-01

    FAR-TECH, Inc. is developing a suite of full wave RF codes in hot plasmas. It is based on a formulation in configuration space with grid adaptation capability. The conductivity kernel (which includes a nonlocal dielectric response) is calculated by integrating the linearized Vlasov equation along unperturbed test particle orbits. For Tokamak applications a 2-D version of the code is being developed. Progress of this work will be reported. This suite of codes has the following advantages over existing spectral codes: 1) It utilizes the localized nature of plasma dielectric response to the RF field and calculates this response numerically without approximations. 2) It uses an adaptive grid to better resolve resonances in plasma and antenna structures. 3) It uses an efficient sparse matrix solver to solve the formulated linear equations. The linear wave equation is formulated using two approaches: for cold plasmas the local cold plasma dielectric tensor is used (resolving resonances by particle collisions), while for hot plasmas the conductivity kernel is calculated. Work is supported by the U.S. DOE SBIR program.

  8. Preparation of UC0.07-0.10N0.90-0.93 spheres for TRISO coated fuel particles

    NASA Astrophysics Data System (ADS)

    Hunt, R. D.; Silva, C. M.; Lindemer, T. B.; Johnson, J. A.; Collins, J. L.

    2014-05-01

    The US Department of Energy is considering a new nuclear fuel that would be less susceptible to ruptures during a loss-of-coolant accident. The fuel would consist of tristructural isotropic coated particles with dense uranium nitride (UN) kernels with diameters of 650 or 800 μm. The objectives of this effort are to make uranium oxide microspheres with adequately dispersed carbon nanoparticles and to convert these microspheres into UN spheres, which could be then sintered into kernels. Recent improvements to the internal gelation process were successfully applied to the production of uranium gel spheres with different concentrations of carbon black. After the spheres were washed and dried, a simple two-step heat profile was used to produce porous microspheres with a chemical composition of UC0.07-0.10N0.90-0.93. The first step involved heating the microspheres to 2023 K in a vacuum, and in the second step, the microspheres were held at 1873 K for 6 h in flowing nitrogen.

  9. A spatial scan statistic for nonisotropic two-level risk cluster.

    PubMed

    Li, Xiao-Zhou; Wang, Jin-Feng; Yang, Wei-Zhong; Li, Zhong-Jie; Lai, Sheng-Jie

    2012-01-30

    Spatial scan statistic methods are commonly used for geographical disease surveillance and cluster detection. The standard spatial scan statistic does not model any variability in the underlying risks of subregions belonging to a detected cluster. For a multilevel risk cluster, the isotonic spatial scan statistic could model a centralized high-risk kernel in the cluster. Because variations in disease risks are anisotropic owing to different social, economical, or transport factors, the real high-risk kernel will not necessarily take the central place in a whole cluster area. We propose a spatial scan statistic for a nonisotropic two-level risk cluster, which could be used to detect a whole cluster and a noncentralized high-risk kernel within the cluster simultaneously. The performance of the three methods was evaluated through an intensive simulation study. Our proposed nonisotropic two-level method showed better power and geographical precision with two-level risk cluster scenarios, especially for a noncentralized high-risk kernel. Our proposed method is illustrated using the hand-foot-mouth disease data in Pingdu City, Shandong, China in May 2009, compared with two other methods. In this practical study, the nonisotropic two-level method is the only way to precisely detect a high-risk area in a detected whole cluster. Copyright © 2011 John Wiley & Sons, Ltd.

  10. Optimization of fixture layouts of glass laser optics using multiple kernel regression.

    PubMed

    Su, Jianhua; Cao, Enhua; Qiao, Hong

    2014-05-10

    We aim to build an integrated fixturing model to describe the structural properties and thermal properties of the support frame of glass laser optics. Therefore, (a) a near global optimal set of clamps can be computed to minimize the surface shape error of the glass laser optic based on the proposed model, and (b) a desired surface shape error can be obtained by adjusting the clamping forces under various environmental temperatures based on the model. To construct the model, we develop a new multiple kernel learning method and call it multiple kernel support vector functional regression. The proposed method uses two layer regressions to group and order the data sources by the weights of the kernels and the factors of the layers. Because of that, the influences of the clamps and the temperature can be evaluated by grouping them into different layers.

  11. Nonparametric entropy estimation using kernel densities.

    PubMed

    Lake, Douglas E

    2009-01-01

    The entropy of experimental data from the biological and medical sciences provides additional information over summary statistics. Calculating entropy involves estimates of probability density functions, which can be effectively accomplished using kernel density methods. Kernel density estimation has been widely studied and a univariate implementation is readily available in MATLAB. The traditional definition of Shannon entropy is part of a larger family of statistics, called Renyi entropy, which are useful in applications that require a measure of the Gaussianity of data. Of particular note is the quadratic entropy which is related to the Friedman-Tukey (FT) index, a widely used measure in the statistical community. One application where quadratic entropy is very useful is the detection of abnormal cardiac rhythms, such as atrial fibrillation (AF). Asymptotic and exact small-sample results for optimal bandwidth and kernel selection to estimate the FT index are presented and lead to improved methods for entropy estimation.

  12. Sensitivity Kernels for the Cross-Convolution Measure: Eliminate the Source in Waveform Tomography

    NASA Astrophysics Data System (ADS)

    Menke, W. H.

    2017-12-01

    We use the adjoint method to derive sensitivity kernels for the cross-convolution measure, a goodness-of-fit criterion that is applicable to seismic data containing closely-spaced multiple arrivals, such as reverberating compressional waves and split shear waves. In addition to a general formulation, specific expressions for sensitivity with respect to density, Lamé parameter and shear modulus are derived for a isotropic elastic solid. As is typical of adjoint methods, the kernels depend upon an adjoint field, the source of which, in this case, is the reference displacement field, pre-multiplied by a matrix of cross-correlations of components of the observed field. We use a numerical simulation to evaluate the resolving power of a topographic inversion that employs the cross-convolution measure. The estimated resolving kernel shows is point-like, indicating that the cross-convolution measure will perform well in waveform tomography settings.

  13. Explaining Support Vector Machines: A Color Based Nomogram

    PubMed Central

    Van Belle, Vanya; Van Calster, Ben; Van Huffel, Sabine; Suykens, Johan A. K.; Lisboa, Paulo

    2016-01-01

    Problem setting Support vector machines (SVMs) are very popular tools for classification, regression and other problems. Due to the large choice of kernels they can be applied with, a large variety of data can be analysed using these tools. Machine learning thanks its popularity to the good performance of the resulting models. However, interpreting the models is far from obvious, especially when non-linear kernels are used. Hence, the methods are used as black boxes. As a consequence, the use of SVMs is less supported in areas where interpretability is important and where people are held responsible for the decisions made by models. Objective In this work, we investigate whether SVMs using linear, polynomial and RBF kernels can be explained such that interpretations for model-based decisions can be provided. We further indicate when SVMs can be explained and in which situations interpretation of SVMs is (hitherto) not possible. Here, explainability is defined as the ability to produce the final decision based on a sum of contributions which depend on one single or at most two input variables. Results Our experiments on simulated and real-life data show that explainability of an SVM depends on the chosen parameter values (degree of polynomial kernel, width of RBF kernel and regularization constant). When several combinations of parameter values yield the same cross-validation performance, combinations with a lower polynomial degree or a larger kernel width have a higher chance of being explainable. Conclusions This work summarizes SVM classifiers obtained with linear, polynomial and RBF kernels in a single plot. Linear and polynomial kernels up to the second degree are represented exactly. For other kernels an indication of the reliability of the approximation is presented. The complete methodology is available as an R package and two apps and a movie are provided to illustrate the possibilities offered by the method. PMID:27723811

  14. Sparse Event Modeling with Hierarchical Bayesian Kernel Methods

    DTIC Science & Technology

    2016-01-05

    SECURITY CLASSIFICATION OF: The research objective of this proposal was to develop a predictive Bayesian kernel approach to model count data based on...several predictive variables. Such an approach, which we refer to as the Poisson Bayesian kernel model , is able to model the rate of occurrence of...which adds specificity to the model and can make nonlinear data more manageable. Early results show that the 1. REPORT DATE (DD-MM-YYYY) 4. TITLE

  15. Comparisons of geoid models over Alaska computed with different Stokes' kernel modifications

    NASA Astrophysics Data System (ADS)

    Li, X.; Wang, Y.

    2011-01-01

    Various Stokes kernel modification methods have been developed over the years. The goal of this paper is to test the most commonly used Stokes kernel modifications numerically by using Alaska as a test area and EGM08 as a reference model. The tests show that some methods are more sensitive than others to the integration cap sizes. For instance, using the methods of Vaníček and Kleusberg or Featherstone et al. with kernel modification at degree 60, the geoid decreases by 30 cm (on average) when the cap size increases from 1° to 25°. The corresponding changes in the methods of Wong and Gore and Heck and Grüninger are only at the 1 cm level. At high modification degrees, above 360, the methods of Vaníček and Kleusberg and Featherstone et al become unstable because of numerical problems in the modification coefficients; similar conclusions have been reported by Featherstone (2003). In contrast, the methods of Wong and Gore, Heck and Grüninger and the least-squares spectral combination are stable at any modification degree, though they do not provide as good fit as the best case of the Molodenskii-type methods at the GPS/Leveling benchmarks. However, certain tests for choosing the cap size and modification degree have to be performed in advance to avoid abrupt mean geoid changes if the latter methods are applied.

  16. Antidiarrhoeal efficacy of Mangifera indica seed kernel on Swiss albino mice.

    PubMed

    Rajan, S; Suganya, H; Thirunalasundari, T; Jeeva, S

    2012-08-01

    To examine the antidiarrhoeal activity of alcoholic and aqueous seed kernel extract of Mangifera indica (M. indica) on castor oil-induced diarrhoeal activity in Swiss albino mice. Mango seed kernels were processed and extracted using alcohol and water. Antidiarrhoeal activity of the extracts were assessed using intestinal motility and faecal score methods. Aqueous and alcoholic extracts of M. indica significantly reduced intestinal motility and faecal score in Swiss albino mice. The present study shows the traditional claim on the use of M. indica seed kernel for treating diarrhoea in Southern parts of India. Copyright © 2012 Hainan Medical College. Published by Elsevier B.V. All rights reserved.

  17. Linked-cluster formulation of electron-hole interaction kernel in real-space representation without using unoccupied states.

    PubMed

    Bayne, Michael G; Scher, Jeremy A; Ellis, Benjamin H; Chakraborty, Arindam

    2018-05-21

    Electron-hole or quasiparticle representation plays a central role in describing electronic excitations in many-electron systems. For charge-neutral excitation, the electron-hole interaction kernel is the quantity of interest for calculating important excitation properties such as optical gap, optical spectra, electron-hole recombination and electron-hole binding energies. The electron-hole interaction kernel can be formally derived from the density-density correlation function using both Green's function and TDDFT formalism. The accurate determination of the electron-hole interaction kernel remains a significant challenge for precise calculations of optical properties in the GW+BSE formalism. From the TDDFT perspective, the electron-hole interaction kernel has been viewed as a path to systematic development of frequency-dependent exchange-correlation functionals. Traditional approaches, such as MBPT formalism, use unoccupied states (which are defined with respect to Fermi vacuum) to construct the electron-hole interaction kernel. However, the inclusion of unoccupied states has long been recognized as the leading computational bottleneck that limits the application of this approach for larger finite systems. In this work, an alternative derivation that avoids using unoccupied states to construct the electron-hole interaction kernel is presented. The central idea of this approach is to use explicitly correlated geminal functions for treating electron-electron correlation for both ground and excited state wave functions. Using this ansatz, it is derived using both diagrammatic and algebraic techniques that the electron-hole interaction kernel can be expressed only in terms of linked closed-loop diagrams. It is proved that the cancellation of unlinked diagrams is a consequence of linked-cluster theorem in real-space representation. The electron-hole interaction kernel derived in this work was used to calculate excitation energies in many-electron systems and results were found to be in good agreement with the EOM-CCSD and GW+BSE methods. The numerical results highlight the effectiveness of the developed method for overcoming the computational barrier of accurately determining the electron-hole interaction kernel to applications of large finite systems such as quantum dots and nanorods.

  18. Spectrofluorimetric determination of melatonin in kernels of four different Pistacia varieties after ultrasound-assisted solid-liquid extraction.

    PubMed

    Oladi, Elham; Mohamadi, Maryam; Shamspur, Tayebeh; Mostafavi, Ali

    2014-11-11

    Melatonin is normally consumed to regulate the body's biological cycle. However it also has therapeutic properties, such as anti-tumor, anti-aging and protects the immune system. There are some reports on the presence of melatonin in edible kernels such as walnuts, but the extraction of melatonin from pistachio kernels is reported here for the first time. For this, the methanolic extract of pistachio kernels was exposed to gas chromatography/mass spectrometry analysis which confirmed the presence of melatonin. A fluorescence-based method was applied for the determination of melatonin in different extracts. When excited at λ=275 nm, the fluorescence emission intensity of melatonin was measured at λ=366 nm. Ultrasound-assisted solid-liquid extraction was used for the extraction of melatonin from pistachio kernels prior to fluorimetric determination. To achieve the highest extraction recovery, the main parameters affecting the extraction efficiency such as extracting solvent type and volume, temperature, sonication time and pH were evaluated. Under the optimized conditions, a linear dependence of fluorescence intensity on melatonin concentration was observed in the range of 0.0040-0.160 μg mL(-1), with a detection limit of 0.0036 μg mL(-1). This method was applied successfully for measuring and comparing the melatonin content in the kernels of four different varieties of Pistacia including Ahmad Aghaei, Akbari, Kalle Qouchi and Fandoghi. In addition, the results obtained were compared with those obtained using GC/MS. A good agreement was observed indicating the reliability of the proposed method. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Spectrofluorimetric determination of melatonin in kernels of four different Pistacia varieties after ultrasound-assisted solid-liquid extraction

    NASA Astrophysics Data System (ADS)

    Oladi, Elham; Mohamadi, Maryam; Shamspur, Tayebeh; Mostafavi, Ali

    2014-11-01

    Melatonin is normally consumed to regulate the body's biological cycle. However it also has therapeutic properties, such as anti-tumor, anti-aging and protects the immune system. There are some reports on the presence of melatonin in edible kernels such as walnuts, but the extraction of melatonin from pistachio kernels is reported here for the first time. For this, the methanolic extract of pistachio kernels was exposed to gas chromatography/mass spectrometry analysis which confirmed the presence of melatonin. A fluorescence-based method was applied for the determination of melatonin in different extracts. When excited at λ = 275 nm, the fluorescence emission intensity of melatonin was measured at λ = 366 nm. Ultrasound-assisted solid-liquid extraction was used for the extraction of melatonin from pistachio kernels prior to fluorimetric determination. To achieve the highest extraction recovery, the main parameters affecting the extraction efficiency such as extracting solvent type and volume, temperature, sonication time and pH were evaluated. Under the optimized conditions, a linear dependence of fluorescence intensity on melatonin concentration was observed in the range of 0.0040-0.160 μg mL-1, with a detection limit of 0.0036 μg mL-1. This method was applied successfully for measuring and comparing the melatonin content in the kernels of four different varieties of Pistacia including Ahmad Aghaei, Akbari, Kalle Qouchi and Fandoghi. In addition, the results obtained were compared with those obtained using GC/MS. A good agreement was observed indicating the reliability of the proposed method.

  20. Classification and quantification analysis of peach kernel from different origins with near-infrared diffuse reflection spectroscopy

    PubMed Central

    Liu, Wei; Wang, Zhen-Zhong; Qing, Jian-Ping; Li, Hong-Juan; Xiao, Wei

    2014-01-01

    Background: Peach kernels which contain kinds of fatty acids play an important role in the regulation of a variety of physiological and biological functions. Objective: To establish an innovative and rapid diffuse reflectance near-infrared spectroscopy (DR-NIR) analysis method along with chemometric techniques for the qualitative and quantitative determination of a peach kernel. Materials and Methods: Peach kernel samples from nine different origins were analyzed with high-performance liquid chromatography (HPLC) as a reference method. DR-NIR is in the spectral range 1100-2300 nm. Principal component analysis (PCA) and partial least squares regression (PLSR) algorithm were applied to obtain prediction models, The Savitzky-Golay derivative and first derivative were adopted for the spectral pre-processing, PCA was applied to classify the varieties of those samples. For the quantitative calibration, the models of linoleic and oleinic acids were established with the PLSR algorithm and the optimal principal component (PC) numbers were selected with leave-one-out (LOO) cross-validation. The established models were evaluated with the root mean square error of deviation (RMSED) and corresponding correlation coefficients (R2). Results: The PCA results of DR-NIR spectra yield clear classification of the two varieties of peach kernel. PLSR had a better predictive ability. The correlation coefficients of the two calibration models were above 0.99, and the RMSED of linoleic and oleinic acids were 1.266% and 1.412%, respectively. Conclusion: The DR-NIR combined with PCA and PLSR algorithm could be used efficiently to identify and quantify peach kernels and also help to solve variety problem. PMID:25422544

  1. P- and S-wave Receiver Function Imaging with Scattering Kernels

    NASA Astrophysics Data System (ADS)

    Hansen, S. M.; Schmandt, B.

    2017-12-01

    Full waveform inversion provides a flexible approach to the seismic parameter estimation problem and can account for the full physics of wave propagation using numeric simulations. However, this approach requires significant computational resources due to the demanding nature of solving the forward and adjoint problems. This issue is particularly acute for temporary passive-source seismic experiments (e.g. PASSCAL) that have traditionally relied on teleseismic earthquakes as sources resulting in a global scale forward problem. Various approximation strategies have been proposed to reduce the computational burden such as hybrid methods that embed a heterogeneous regional scale model in a 1D global model. In this study, we focus specifically on the problem of scattered wave imaging (migration) using both P- and S-wave receiver function data. The proposed method relies on body-wave scattering kernels that are derived from the adjoint data sensitivity kernels which are typically used for full waveform inversion. The forward problem is approximated using ray theory yielding a computationally efficient imaging algorithm that can resolve dipping and discontinuous velocity interfaces in 3D. From the imaging perspective, this approach is closely related to elastic reverse time migration. An energy stable finite-difference method is used to simulate elastic wave propagation in a 2D hypothetical subduction zone model. The resulting synthetic P- and S-wave receiver function datasets are used to validate the imaging method. The kernel images are compared with those generated by the Generalized Radon Transform (GRT) and Common Conversion Point stacking (CCP) methods. These results demonstrate the potential of the kernel imaging approach to constrain lithospheric structure in complex geologic environments with sufficiently dense recordings of teleseismic data. This is demonstrated using a receiver function dataset from the Central California Seismic Experiment which shows several dipping interfaces related to the tectonic assembly of this region. Figure 1. Scattering kernel examples for three receiver function phases. A) direct P-to-s (Ps), B) direct S-to-p and C) free-surface PP-to-s (PPs).

  2. Anelastic sensitivity kernels with parsimonious storage for adjoint tomography and full waveform inversion

    NASA Astrophysics Data System (ADS)

    Komatitsch, Dimitri; Xie, Zhinan; Bozdaǧ, Ebru; Sales de Andrade, Elliott; Peter, Daniel; Liu, Qinya; Tromp, Jeroen

    2016-09-01

    We introduce a technique to compute exact anelastic sensitivity kernels in the time domain using parsimonious disk storage. The method is based on a reordering of the time loop of time-domain forward/adjoint wave propagation solvers combined with the use of a memory buffer. It avoids instabilities that occur when time-reversing dissipative wave propagation simulations. The total number of required time steps is unchanged compared to usual acoustic or elastic approaches. The cost is reduced by a factor of 4/3 compared to the case in which anelasticity is partially accounted for by accommodating the effects of physical dispersion. We validate our technique by performing a test in which we compare the Kα sensitivity kernel to the exact kernel obtained by saving the entire forward calculation. This benchmark confirms that our approach is also exact. We illustrate the importance of including full attenuation in the calculation of sensitivity kernels by showing significant differences with physical-dispersion-only kernels.

  3. Single kernel method for detection of 2-acetyl-1-pyrroline in aromatic rice germplasm using SPME-GC/MS

    USDA-ARS?s Scientific Manuscript database

    INTRODUCTION Aromatic rice or fragrant rice, (Oryza sativa L.), has a strong popcorn-like aroma due to the presence of a five-membered N-heterocyclic ring compound known as 2-acetyl-1-pyrroline (2-AP). To date, existing methods for detecting this compound in rice require the use of several kernels. ...

  4. Predicting activity approach based on new atoms similarity kernel function.

    PubMed

    Abu El-Atta, Ahmed H; Moussa, M I; Hassanien, Aboul Ella

    2015-07-01

    Drug design is a high cost and long term process. To reduce time and costs for drugs discoveries, new techniques are needed. Chemoinformatics field implements the informational techniques and computer science like machine learning and graph theory to discover the chemical compounds properties, such as toxicity or biological activity. This is done through analyzing their molecular structure (molecular graph). To overcome this problem there is an increasing need for algorithms to analyze and classify graph data to predict the activity of molecules. Kernels methods provide a powerful framework which combines machine learning with graph theory techniques. These kernels methods have led to impressive performance results in many several chemoinformatics problems like biological activity prediction. This paper presents a new approach based on kernel functions to solve activity prediction problem for chemical compounds. First we encode all atoms depending on their neighbors then we use these codes to find a relationship between those atoms each other. Then we use relation between different atoms to find similarity between chemical compounds. The proposed approach was compared with many other classification methods and the results show competitive accuracy with these methods. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Spatio-temporal Event Classification using Time-series Kernel based Structured Sparsity

    PubMed Central

    Jeni, László A.; Lőrincz, András; Szabó, Zoltán; Cohn, Jeffrey F.; Kanade, Takeo

    2016-01-01

    In many behavioral domains, such as facial expression and gesture, sparse structure is prevalent. This sparsity would be well suited for event detection but for one problem. Features typically are confounded by alignment error in space and time. As a consequence, high-dimensional representations such as SIFT and Gabor features have been favored despite their much greater computational cost and potential loss of information. We propose a Kernel Structured Sparsity (KSS) method that can handle both the temporal alignment problem and the structured sparse reconstruction within a common framework, and it can rely on simple features. We characterize spatio-temporal events as time-series of motion patterns and by utilizing time-series kernels we apply standard structured-sparse coding techniques to tackle this important problem. We evaluated the KSS method using both gesture and facial expression datasets that include spontaneous behavior and differ in degree of difficulty and type of ground truth coding. KSS outperformed both sparse and non-sparse methods that utilize complex image features and their temporal extensions. In the case of early facial event classification KSS had 10% higher accuracy as measured by F1 score over kernel SVM methods1. PMID:27830214

  6. Sparse kernel methods for high-dimensional survival data.

    PubMed

    Evers, Ludger; Messow, Claudia-Martina

    2008-07-15

    Sparse kernel methods like support vector machines (SVM) have been applied with great success to classification and (standard) regression settings. Existing support vector classification and regression techniques however are not suitable for partly censored survival data, which are typically analysed using Cox's proportional hazards model. As the partial likelihood of the proportional hazards model only depends on the covariates through inner products, it can be 'kernelized'. The kernelized proportional hazards model however yields a solution that is dense, i.e. the solution depends on all observations. One of the key features of an SVM is that it yields a sparse solution, depending only on a small fraction of the training data. We propose two methods. One is based on a geometric idea, where-akin to support vector classification-the margin between the failed observation and the observations currently at risk is maximised. The other approach is based on obtaining a sparse model by adding observations one after another akin to the Import Vector Machine (IVM). Data examples studied suggest that both methods can outperform competing approaches. Software is available under the GNU Public License as an R package and can be obtained from the first author's website http://www.maths.bris.ac.uk/~maxle/software.html.

  7. Water Quality Sensing and Spatio-Temporal Monitoring Structure with Autocorrelation Kernel Methods.

    PubMed

    Vizcaíno, Iván P; Carrera, Enrique V; Muñoz-Romero, Sergio; Cumbal, Luis H; Rojo-Álvarez, José Luis

    2017-10-16

    Pollution on water resources is usually analyzed with monitoring campaigns, which consist of programmed sampling, measurement, and recording of the most representative water quality parameters. These campaign measurements yields a non-uniform spatio-temporal sampled data structure to characterize complex dynamics phenomena. In this work, we propose an enhanced statistical interpolation method to provide water quality managers with statistically interpolated representations of spatial-temporal dynamics. Specifically, our proposal makes efficient use of the a priori available information of the quality parameter measurements through Support Vector Regression (SVR) based on Mercer's kernels. The methods are benchmarked against previously proposed methods in three segments of the Machángara River and one segment of the San Pedro River in Ecuador, and their different dynamics are shown by statistically interpolated spatial-temporal maps. The best interpolation performance in terms of mean absolute error was the SVR with Mercer's kernel given by either the Mahalanobis spatial-temporal covariance matrix or by the bivariate estimated autocorrelation function. In particular, the autocorrelation kernel provides with significant improvement of the estimation quality, consistently for all the six water quality variables, which points out the relevance of including a priori knowledge of the problem.

  8. Water Quality Sensing and Spatio-Temporal Monitoring Structure with Autocorrelation Kernel Methods

    PubMed Central

    Vizcaíno, Iván P.; Muñoz-Romero, Sergio; Cumbal, Luis H.

    2017-01-01

    Pollution on water resources is usually analyzed with monitoring campaigns, which consist of programmed sampling, measurement, and recording of the most representative water quality parameters. These campaign measurements yields a non-uniform spatio-temporal sampled data structure to characterize complex dynamics phenomena. In this work, we propose an enhanced statistical interpolation method to provide water quality managers with statistically interpolated representations of spatial-temporal dynamics. Specifically, our proposal makes efficient use of the a priori available information of the quality parameter measurements through Support Vector Regression (SVR) based on Mercer’s kernels. The methods are benchmarked against previously proposed methods in three segments of the Machángara River and one segment of the San Pedro River in Ecuador, and their different dynamics are shown by statistically interpolated spatial-temporal maps. The best interpolation performance in terms of mean absolute error was the SVR with Mercer’s kernel given by either the Mahalanobis spatial-temporal covariance matrix or by the bivariate estimated autocorrelation function. In particular, the autocorrelation kernel provides with significant improvement of the estimation quality, consistently for all the six water quality variables, which points out the relevance of including a priori knowledge of the problem. PMID:29035333

  9. Deep Restricted Kernel Machines Using Conjugate Feature Duality.

    PubMed

    Suykens, Johan A K

    2017-08-01

    The aim of this letter is to propose a theory of deep restricted kernel machines offering new foundations for deep learning with kernel machines. From the viewpoint of deep learning, it is partially related to restricted Boltzmann machines, which are characterized by visible and hidden units in a bipartite graph without hidden-to-hidden connections and deep learning extensions as deep belief networks and deep Boltzmann machines. From the viewpoint of kernel machines, it includes least squares support vector machines for classification and regression, kernel principal component analysis (PCA), matrix singular value decomposition, and Parzen-type models. A key element is to first characterize these kernel machines in terms of so-called conjugate feature duality, yielding a representation with visible and hidden units. It is shown how this is related to the energy form in restricted Boltzmann machines, with continuous variables in a nonprobabilistic setting. In this new framework of so-called restricted kernel machine (RKM) representations, the dual variables correspond to hidden features. Deep RKM are obtained by coupling the RKMs. The method is illustrated for deep RKM, consisting of three levels with a least squares support vector machine regression level and two kernel PCA levels. In its primal form also deep feedforward neural networks can be trained within this framework.

  10. Integrating different data types by regularized unsupervised multiple kernel learning with application to cancer subtype discovery.

    PubMed

    Speicher, Nora K; Pfeifer, Nico

    2015-06-15

    Despite ongoing cancer research, available therapies are still limited in quantity and effectiveness, and making treatment decisions for individual patients remains a hard problem. Established subtypes, which help guide these decisions, are mainly based on individual data types. However, the analysis of multidimensional patient data involving the measurements of various molecular features could reveal intrinsic characteristics of the tumor. Large-scale projects accumulate this kind of data for various cancer types, but we still lack the computational methods to reliably integrate this information in a meaningful manner. Therefore, we apply and extend current multiple kernel learning for dimensionality reduction approaches. On the one hand, we add a regularization term to avoid overfitting during the optimization procedure, and on the other hand, we show that one can even use several kernels per data type and thereby alleviate the user from having to choose the best kernel functions and kernel parameters for each data type beforehand. We have identified biologically meaningful subgroups for five different cancer types. Survival analysis has revealed significant differences between the survival times of the identified subtypes, with P values comparable or even better than state-of-the-art methods. Moreover, our resulting subtypes reflect combined patterns from the different data sources, and we demonstrate that input kernel matrices with only little information have less impact on the integrated kernel matrix. Our subtypes show different responses to specific therapies, which could eventually assist in treatment decision making. An executable is available upon request. © The Author 2015. Published by Oxford University Press.

  11. Phylodynamic Inference with Kernel ABC and Its Application to HIV Epidemiology.

    PubMed

    Poon, Art F Y

    2015-09-01

    The shapes of phylogenetic trees relating virus populations are determined by the adaptation of viruses within each host, and by the transmission of viruses among hosts. Phylodynamic inference attempts to reverse this flow of information, estimating parameters of these processes from the shape of a virus phylogeny reconstructed from a sample of genetic sequences from the epidemic. A key challenge to phylodynamic inference is quantifying the similarity between two trees in an efficient and comprehensive way. In this study, I demonstrate that a new distance measure, based on a subset tree kernel function from computational linguistics, confers a significant improvement over previous measures of tree shape for classifying trees generated under different epidemiological scenarios. Next, I incorporate this kernel-based distance measure into an approximate Bayesian computation (ABC) framework for phylodynamic inference. ABC bypasses the need for an analytical solution of model likelihood, as it only requires the ability to simulate data from the model. I validate this "kernel-ABC" method for phylodynamic inference by estimating parameters from data simulated under a simple epidemiological model. Results indicate that kernel-ABC attained greater accuracy for parameters associated with virus transmission than leading software on the same data sets. Finally, I apply the kernel-ABC framework to study a recent outbreak of a recombinant HIV subtype in China. Kernel-ABC provides a versatile framework for phylodynamic inference because it can fit a broader range of models than methods that rely on the computation of exact likelihoods. © The Author 2015. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

  12. Omnibus risk assessment via accelerated failure time kernel machine modeling.

    PubMed

    Sinnott, Jennifer A; Cai, Tianxi

    2013-12-01

    Integrating genomic information with traditional clinical risk factors to improve the prediction of disease outcomes could profoundly change the practice of medicine. However, the large number of potential markers and possible complexity of the relationship between markers and disease make it difficult to construct accurate risk prediction models. Standard approaches for identifying important markers often rely on marginal associations or linearity assumptions and may not capture non-linear or interactive effects. In recent years, much work has been done to group genes into pathways and networks. Integrating such biological knowledge into statistical learning could potentially improve model interpretability and reliability. One effective approach is to employ a kernel machine (KM) framework, which can capture nonlinear effects if nonlinear kernels are used (Scholkopf and Smola, 2002; Liu et al., 2007, 2008). For survival outcomes, KM regression modeling and testing procedures have been derived under a proportional hazards (PH) assumption (Li and Luan, 2003; Cai, Tonini, and Lin, 2011). In this article, we derive testing and prediction methods for KM regression under the accelerated failure time (AFT) model, a useful alternative to the PH model. We approximate the null distribution of our test statistic using resampling procedures. When multiple kernels are of potential interest, it may be unclear in advance which kernel to use for testing and estimation. We propose a robust Omnibus Test that combines information across kernels, and an approach for selecting the best kernel for estimation. The methods are illustrated with an application in breast cancer. © 2013, The International Biometric Society.

  13. Quantum kernel applications in medicinal chemistry.

    PubMed

    Huang, Lulu; Massa, Lou

    2012-07-01

    Progress in the quantum mechanics of biological molecules is being driven by computational advances. The notion of quantum kernels can be introduced to simplify the formalism of quantum mechanics, making it especially suitable for parallel computation of very large biological molecules. The essential idea is to mathematically break large biological molecules into smaller kernels that are calculationally tractable, and then to represent the full molecule by a summation over the kernels. The accuracy of the kernel energy method (KEM) is shown by systematic application to a great variety of molecular types found in biology. These include peptides, proteins, DNA and RNA. Examples are given that explore the KEM across a variety of chemical models, and to the outer limits of energy accuracy and molecular size. KEM represents an advance in quantum biology applicable to problems in medicine and drug design.

  14. A Kernel-Based Low-Rank (KLR) Model for Low-Dimensional Manifold Recovery in Highly Accelerated Dynamic MRI.

    PubMed

    Nakarmi, Ukash; Wang, Yanhua; Lyu, Jingyuan; Liang, Dong; Ying, Leslie

    2017-11-01

    While many low rank and sparsity-based approaches have been developed for accelerated dynamic magnetic resonance imaging (dMRI), they all use low rankness or sparsity in input space, overlooking the intrinsic nonlinear correlation in most dMRI data. In this paper, we propose a kernel-based framework to allow nonlinear manifold models in reconstruction from sub-Nyquist data. Within this framework, many existing algorithms can be extended to kernel framework with nonlinear models. In particular, we have developed a novel algorithm with a kernel-based low-rank model generalizing the conventional low rank formulation. The algorithm consists of manifold learning using kernel, low rank enforcement in feature space, and preimaging with data consistency. Extensive simulation and experiment results show that the proposed method surpasses the conventional low-rank-modeled approaches for dMRI.

  15. GPU Acceleration of Mean Free Path Based Kernel Density Estimators for Monte Carlo Neutronics Simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Burke, TImothy P.; Kiedrowski, Brian C.; Martin, William R.

    Kernel Density Estimators (KDEs) are a non-parametric density estimation technique that has recently been applied to Monte Carlo radiation transport simulations. Kernel density estimators are an alternative to histogram tallies for obtaining global solutions in Monte Carlo tallies. With KDEs, a single event, either a collision or particle track, can contribute to the score at multiple tally points with the uncertainty at those points being independent of the desired resolution of the solution. Thus, KDEs show potential for obtaining estimates of a global solution with reduced variance when compared to a histogram. Previously, KDEs have been applied to neutronics formore » one-group reactor physics problems and fixed source shielding applications. However, little work was done to obtain reaction rates using KDEs. This paper introduces a new form of the MFP KDE that is capable of handling general geometries. Furthermore, extending the MFP KDE to 2-D problems in continuous energy introduces inaccuracies to the solution. An ad-hoc solution to these inaccuracies is introduced that produces errors smaller than 4% at material interfaces.« less

  16. Performance modeling of Deep Burn TRISO fuel using ZrC as a load-bearing layer and an oxygen getter

    NASA Astrophysics Data System (ADS)

    Wongsawaeng, Doonyapong

    2010-01-01

    The effects of design choices for the TRISO particle fuel were explored in order to determine their contribution to attaining high-burnup in Deep Burn modular helium reactor fuels containing transuranics from light water reactor spent fuel. The new design features were: (1) ZrC coating substituted for the SiC, allowing the fuel to survive higher accident temperatures; (2) pyrocarbon/SiC "alloy" substituted for the inner pyrocarbon coating to reduce layer failure and (3) pyrocarbon seal coat and thin ZrC oxygen getter coating on the kernel to eliminate CO. Fuel performance was evaluated using General Atomics Company's PISA code. The only acceptable design has a 200-μm kernel diameter coupled with at least 150-μm thick, 50% porosity buffer, a 15-μm ZrC getter over a 10-μm pyrocarbon seal coat on the kernel, an alloy inner pyrocarbon, and ZrC substituted for SiC. The code predicted that during a 1600 °C postulated accident at 70% FIMA, the ZrC failure probability is <10-4.

  17. Sliding Window Generalized Kernel Affine Projection Algorithm Using Projection Mappings

    NASA Astrophysics Data System (ADS)

    Slavakis, Konstantinos; Theodoridis, Sergios

    2008-12-01

    Very recently, a solution to the kernel-based online classification problem has been given by the adaptive projected subgradient method (APSM). The developed algorithm can be considered as a generalization of a kernel affine projection algorithm (APA) and the kernel normalized least mean squares (NLMS). Furthermore, sparsification of the resulting kernel series expansion was achieved by imposing a closed ball (convex set) constraint on the norm of the classifiers. This paper presents another sparsification method for the APSM approach to the online classification task by generating a sequence of linear subspaces in a reproducing kernel Hilbert space (RKHS). To cope with the inherent memory limitations of online systems and to embed tracking capabilities to the design, an upper bound on the dimension of the linear subspaces is imposed. The underlying principle of the design is the notion of projection mappings. Classification is performed by metric projection mappings, sparsification is achieved by orthogonal projections, while the online system's memory requirements and tracking are attained by oblique projections. The resulting sparsification scheme shows strong similarities with the classical sliding window adaptive schemes. The proposed design is validated by the adaptive equalization problem of a nonlinear communication channel, and is compared with classical and recent stochastic gradient descent techniques, as well as with the APSM's solution where sparsification is performed by a closed ball constraint on the norm of the classifiers.

  18. SVM and SVM Ensembles in Breast Cancer Prediction.

    PubMed

    Huang, Min-Wei; Chen, Chih-Wen; Lin, Wei-Chao; Ke, Shih-Wen; Tsai, Chih-Fong

    2017-01-01

    Breast cancer is an all too common disease in women, making how to effectively predict it an active research problem. A number of statistical and machine learning techniques have been employed to develop various breast cancer prediction models. Among them, support vector machines (SVM) have been shown to outperform many related techniques. To construct the SVM classifier, it is first necessary to decide the kernel function, and different kernel functions can result in different prediction performance. However, there have been very few studies focused on examining the prediction performances of SVM based on different kernel functions. Moreover, it is unknown whether SVM classifier ensembles which have been proposed to improve the performance of single classifiers can outperform single SVM classifiers in terms of breast cancer prediction. Therefore, the aim of this paper is to fully assess the prediction performance of SVM and SVM ensembles over small and large scale breast cancer datasets. The classification accuracy, ROC, F-measure, and computational times of training SVM and SVM ensembles are compared. The experimental results show that linear kernel based SVM ensembles based on the bagging method and RBF kernel based SVM ensembles with the boosting method can be the better choices for a small scale dataset, where feature selection should be performed in the data pre-processing stage. For a large scale dataset, RBF kernel based SVM ensembles based on boosting perform better than the other classifiers.

  19. SVM and SVM Ensembles in Breast Cancer Prediction

    PubMed Central

    Huang, Min-Wei; Chen, Chih-Wen; Lin, Wei-Chao; Ke, Shih-Wen; Tsai, Chih-Fong

    2017-01-01

    Breast cancer is an all too common disease in women, making how to effectively predict it an active research problem. A number of statistical and machine learning techniques have been employed to develop various breast cancer prediction models. Among them, support vector machines (SVM) have been shown to outperform many related techniques. To construct the SVM classifier, it is first necessary to decide the kernel function, and different kernel functions can result in different prediction performance. However, there have been very few studies focused on examining the prediction performances of SVM based on different kernel functions. Moreover, it is unknown whether SVM classifier ensembles which have been proposed to improve the performance of single classifiers can outperform single SVM classifiers in terms of breast cancer prediction. Therefore, the aim of this paper is to fully assess the prediction performance of SVM and SVM ensembles over small and large scale breast cancer datasets. The classification accuracy, ROC, F-measure, and computational times of training SVM and SVM ensembles are compared. The experimental results show that linear kernel based SVM ensembles based on the bagging method and RBF kernel based SVM ensembles with the boosting method can be the better choices for a small scale dataset, where feature selection should be performed in the data pre-processing stage. For a large scale dataset, RBF kernel based SVM ensembles based on boosting perform better than the other classifiers. PMID:28060807

  20. Properties of Particle Size Distribution from Milled White Nixtamalized Corn Kernels as a Function of Steeping Time

    PubMed Central

    Fernández-Muñoz, J. L.; Zapata-Torrez, M.; Márquez-Herrera, A.; Sánchez-Sinencio, F.; Mendoza-Álvarez, J. G.; Meléndez-Lira, M.; Zelaya-Ángel, O.

    2016-01-01

    This paper focuses on the particle size distribution (PSD) changes during nixtamalized corn kernels (NCK) as a function of the steeping time (ST). The process to obtain powder or corn flour from NCK was as follows: (i) the NCK with different STs were wet-milled in a stone mill, (ii) dehydrated by a Flash type dryer, and (iii) pulverized with a hammer mill and sieved with a 20 mesh. The powder was characterized by measuring the PSD percentage, calcium percentage (CP), peak viscosity at 90°C (PV), and crystallinity percentage (CP). The PSD of the powder as a function of ST was determined by sieving in Ro-TAP equipment. By sieving, five fractions of powder were obtained employing meshes 30, 40, 60, 80, and 100. The final weight of the PSD obtained from the sieving process follows a Gaussian profile with the maximum corresponding to the average particle obtained with mesh 60. The calcium percentage as a function of ST follows a behavior similar to the weight of the PSD. The study of crystallinity versus the mesh number shows that it decreases for smaller mesh number. A similar behavior is observed as steeping time increases, except around ST = 8 h where the gelatinization of starch is observed. The trend of increasing viscosity values of the powder samples occurs when increasing ST and decreasing particle size. The ST significantly changes the crystallinity and viscosity values of the powder and, in both cases, a minimum value is observed in the region 7–9 h. The experimental results show that the viscosity increases (decreases) if the particle size decreases (increases). PMID:27375921

  1. Fission product palladium-silicon carbide interaction in htgr fuel particles

    NASA Astrophysics Data System (ADS)

    Minato, Kazuo; Ogawa, Toru; Kashimura, Satoru; Fukuda, Kousaku; Shimizu, Michio; Tayama, Yoshinobu; Takahashi, Ishio

    1990-07-01

    Interaction of fission product palladium (Pd) with the silicon carbide (SiC) layer was observed in irradiated Triso-coated uranium dioxide particles for high temperature gas-cooled reactors (HTGR) with an optical microscope and electron probe microanalyzers. The SiC layers were attacked locally or the reaction product formed nodules at the attack site. Although the main element concerned with the reaction was palladium, rhodium and ruthenium were also detected at the corroded areas in some particles. Palladium was detected on both the hot and cold sides of the particles, but the corroded areas and the palladium accumulations were distributed particularly on the cold side of the particles. The observed Pd-SiC reaction depths were analyzed on the assumption that the release of palladium from the fuel kernel controls the whole Pd-SiC reaction.

  2. Technical Note: Image filtering to make computer-aided detection robust to image reconstruction kernel choice in lung cancer CT screening

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ohkubo, Masaki, E-mail: mook@clg.niigata-u.ac.jp

    Purpose: In lung cancer computed tomography (CT) screening, the performance of a computer-aided detection (CAD) system depends on the selection of the image reconstruction kernel. To reduce this dependence on reconstruction kernels, the authors propose a novel application of an image filtering method previously proposed by their group. Methods: The proposed filtering process uses the ratio of modulation transfer functions (MTFs) of two reconstruction kernels as a filtering function in the spatial-frequency domain. This method is referred to as MTF{sub ratio} filtering. Test image data were obtained from CT screening scans of 67 subjects who each had one nodule. Imagesmore » were reconstructed using two kernels: f{sub STD} (for standard lung imaging) and f{sub SHARP} (for sharp edge-enhancement lung imaging). The MTF{sub ratio} filtering was implemented using the MTFs measured for those kernels and was applied to the reconstructed f{sub SHARP} images to obtain images that were similar to the f{sub STD} images. A mean filter and a median filter were applied (separately) for comparison. All reconstructed and filtered images were processed using their prototype CAD system. Results: The MTF{sub ratio} filtered images showed excellent agreement with the f{sub STD} images. The standard deviation for the difference between these images was very small, ∼6.0 Hounsfield units (HU). However, the mean and median filtered images showed larger differences of ∼48.1 and ∼57.9 HU from the f{sub STD} images, respectively. The free-response receiver operating characteristic (FROC) curve for the f{sub SHARP} images indicated poorer performance compared with the FROC curve for the f{sub STD} images. The FROC curve for the MTF{sub ratio} filtered images was equivalent to the curve for the f{sub STD} images. However, this similarity was not achieved by using the mean filter or median filter. Conclusions: The accuracy of MTF{sub ratio} image filtering was verified and the method was demonstrated to be effective for reducing the kernel dependence of CAD performance.« less

  3. K-space reconstruction with anisotropic kernel support (KARAOKE) for ultrafast partially parallel imaging

    PubMed Central

    Miao, Jun; Wong, Wilbur C. K.; Narayan, Sreenath; Wilson, David L.

    2011-01-01

    Purpose: Partially parallel imaging (PPI) greatly accelerates MR imaging by using surface coil arrays and under-sampling k-space. However, the reduction factor (R) in PPI is theoretically constrained by the number of coils (NC). A symmetrically shaped kernel is typically used, but this often prevents even the theoretically possible R from being achieved. Here, the authors propose a kernel design method to accelerate PPI faster than R = NC. Methods: K-space data demonstrates an anisotropic pattern that is correlated with the object itself and to the asymmetry of the coil sensitivity profile, which is caused by coil placement and B1 inhomogeneity. From spatial analysis theory, reconstruction of such pattern is best achieved by a signal-dependent anisotropic shape kernel. As a result, the authors propose the use of asymmetric kernels to improve k-space reconstruction. The authors fit a bivariate Gaussian function to the local signal magnitude of each coil, then threshold this function to extract the kernel elements. A perceptual difference model (Case-PDM) was employed to quantitatively evaluate image quality. Results: A MR phantom experiment showed that k-space anisotropy increased as a function of magnetic field strength. The authors tested a K-spAce Reconstruction with AnisOtropic KErnel support (“KARAOKE”) algorithm with both MR phantom and in vivo data sets, and compared the reconstructions to those produced by GRAPPA, a popular PPI reconstruction method. By exploiting k-space anisotropy, KARAOKE was able to better preserve edges, which is particularly useful for cardiac imaging and motion correction, while GRAPPA failed at a high R near or exceeding NC. KARAOKE performed comparably to GRAPPA at low Rs. Conclusions: As a rule of thumb, KARAOKE reconstruction should always be used for higher quality k-space reconstruction, particularly when PPI data is acquired at high Rs and∕or high field strength. PMID:22047378

  4. Common spatial pattern combined with kernel linear discriminate and generalized radial basis function for motor imagery-based brain computer interface applications

    NASA Astrophysics Data System (ADS)

    Hekmatmanesh, Amin; Jamaloo, Fatemeh; Wu, Huapeng; Handroos, Heikki; Kilpeläinen, Asko

    2018-04-01

    Brain Computer Interface (BCI) can be a challenge for developing of robotic, prosthesis and human-controlled systems. This work focuses on the implementation of a common spatial pattern (CSP) base algorithm to detect event related desynchronization patterns. Utilizing famous previous work in this area, features are extracted by filter bank with common spatial pattern (FBCSP) method, and then weighted by a sensitive learning vector quantization (SLVQ) algorithm. In the current work, application of the radial basis function (RBF) as a mapping kernel of linear discriminant analysis (KLDA) method on the weighted features, allows the transfer of data into a higher dimension for more discriminated data scattering by RBF kernel. Afterwards, support vector machine (SVM) with generalized radial basis function (GRBF) kernel is employed to improve the efficiency and robustness of the classification. Averagely, 89.60% accuracy and 74.19% robustness are achieved. BCI Competition III, Iva data set is used to evaluate the algorithm for detecting right hand and foot imagery movement patterns. Results show that combination of KLDA with SVM-GRBF classifier makes 8.9% and 14.19% improvements in accuracy and robustness, respectively. For all the subjects, it is concluded that mapping the CSP features into a higher dimension by RBF and utilization GRBF as a kernel of SVM, improve the accuracy and reliability of the proposed method.

  5. Convolution kernels for multi-wavelength imaging

    NASA Astrophysics Data System (ADS)

    Boucaud, A.; Bocchio, M.; Abergel, A.; Orieux, F.; Dole, H.; Hadj-Youcef, M. A.

    2016-12-01

    Astrophysical images issued from different instruments and/or spectral bands often require to be processed together, either for fitting or comparison purposes. However each image is affected by an instrumental response, also known as point-spread function (PSF), that depends on the characteristics of the instrument as well as the wavelength and the observing strategy. Given the knowledge of the PSF in each band, a straightforward way of processing images is to homogenise them all to a target PSF using convolution kernels, so that they appear as if they had been acquired by the same instrument. We propose an algorithm that generates such PSF-matching kernels, based on Wiener filtering with a tunable regularisation parameter. This method ensures all anisotropic features in the PSFs to be taken into account. We compare our method to existing procedures using measured Herschel/PACS and SPIRE PSFs and simulated JWST/MIRI PSFs. Significant gains up to two orders of magnitude are obtained with respect to the use of kernels computed assuming Gaussian or circularised PSFs. A software to compute these kernels is available at https://github.com/aboucaud/pypher

  6. A Novel Mittag-Leffler Kernel Based Hybrid Fault Diagnosis Method for Wheeled Robot Driving System.

    PubMed

    Yuan, Xianfeng; Song, Mumin; Zhou, Fengyu; Chen, Zhumin; Li, Yan

    2015-01-01

    The wheeled robots have been successfully applied in many aspects, such as industrial handling vehicles, and wheeled service robots. To improve the safety and reliability of wheeled robots, this paper presents a novel hybrid fault diagnosis framework based on Mittag-Leffler kernel (ML-kernel) support vector machine (SVM) and Dempster-Shafer (D-S) fusion. Using sensor data sampled under different running conditions, the proposed approach initially establishes multiple principal component analysis (PCA) models for fault feature extraction. The fault feature vectors are then applied to train the probabilistic SVM (PSVM) classifiers that arrive at a preliminary fault diagnosis. To improve the accuracy of preliminary results, a novel ML-kernel based PSVM classifier is proposed in this paper, and the positive definiteness of the ML-kernel is proved as well. The basic probability assignments (BPAs) are defined based on the preliminary fault diagnosis results and their confidence values. Eventually, the final fault diagnosis result is archived by the fusion of the BPAs. Experimental results show that the proposed framework not only is capable of detecting and identifying the faults in the robot driving system, but also has better performance in stability and diagnosis accuracy compared with the traditional methods.

  7. A Novel Mittag-Leffler Kernel Based Hybrid Fault Diagnosis Method for Wheeled Robot Driving System

    PubMed Central

    Yuan, Xianfeng; Song, Mumin; Chen, Zhumin; Li, Yan

    2015-01-01

    The wheeled robots have been successfully applied in many aspects, such as industrial handling vehicles, and wheeled service robots. To improve the safety and reliability of wheeled robots, this paper presents a novel hybrid fault diagnosis framework based on Mittag-Leffler kernel (ML-kernel) support vector machine (SVM) and Dempster-Shafer (D-S) fusion. Using sensor data sampled under different running conditions, the proposed approach initially establishes multiple principal component analysis (PCA) models for fault feature extraction. The fault feature vectors are then applied to train the probabilistic SVM (PSVM) classifiers that arrive at a preliminary fault diagnosis. To improve the accuracy of preliminary results, a novel ML-kernel based PSVM classifier is proposed in this paper, and the positive definiteness of the ML-kernel is proved as well. The basic probability assignments (BPAs) are defined based on the preliminary fault diagnosis results and their confidence values. Eventually, the final fault diagnosis result is archived by the fusion of the BPAs. Experimental results show that the proposed framework not only is capable of detecting and identifying the faults in the robot driving system, but also has better performance in stability and diagnosis accuracy compared with the traditional methods. PMID:26229526

  8. Estimation of biological parameters of marine organisms using linear and nonlinear acoustic scattering model-based inversion methods.

    PubMed

    Chu, Dezhang; Lawson, Gareth L; Wiebe, Peter H

    2016-05-01

    The linear inversion commonly used in fisheries and zooplankton acoustics assumes a constant inversion kernel and ignores the uncertainties associated with the shape and behavior of the scattering targets, as well as other relevant animal parameters. Here, errors of the linear inversion due to uncertainty associated with the inversion kernel are quantified. A scattering model-based nonlinear inversion method is presented that takes into account the nonlinearity of the inverse problem and is able to estimate simultaneously animal abundance and the parameters associated with the scattering model inherent to the kernel. It uses sophisticated scattering models to estimate first, the abundance, and second, the relevant shape and behavioral parameters of the target organisms. Numerical simulations demonstrate that the abundance, size, and behavior (tilt angle) parameters of marine animals (fish or zooplankton) can be accurately inferred from the inversion by using multi-frequency acoustic data. The influence of the singularity and uncertainty in the inversion kernel on the inversion results can be mitigated by examining the singular values for linear inverse problems and employing a non-linear inversion involving a scattering model-based kernel.

  9. Generalized and efficient algorithm for computing multipole energies and gradients based on Cartesian tensors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lin, Dejun, E-mail: dejun.lin@gmail.com

    2015-09-21

    Accurate representation of intermolecular forces has been the central task of classical atomic simulations, known as molecular mechanics. Recent advancements in molecular mechanics models have put forward the explicit representation of permanent and/or induced electric multipole (EMP) moments. The formulas developed so far to calculate EMP interactions tend to have complicated expressions, especially in Cartesian coordinates, which can only be applied to a specific kernel potential function. For example, one needs to develop a new formula each time a new kernel function is encountered. The complication of these formalisms arises from an intriguing and yet obscured mathematical relation between themore » kernel functions and the gradient operators. Here, I uncover this relation via rigorous derivation and find that the formula to calculate EMP interactions is basically invariant to the potential kernel functions as long as they are of the form f(r), i.e., any Green’s function that depends on inter-particle distance. I provide an algorithm for efficient evaluation of EMP interaction energies, forces, and torques for any kernel f(r) up to any arbitrary rank of EMP moments in Cartesian coordinates. The working equations of this algorithm are essentially the same for any kernel f(r). Recently, a few recursive algorithms were proposed to calculate EMP interactions. Depending on the kernel functions, the algorithm here is about 4–16 times faster than these algorithms in terms of the required number of floating point operations and is much more memory efficient. I show that it is even faster than a theoretically ideal recursion scheme, i.e., one that requires 1 floating point multiplication and 1 addition per recursion step. This algorithm has a compact vector-based expression that is optimal for computer programming. The Cartesian nature of this algorithm makes it fit easily into modern molecular simulation packages as compared with spherical coordinate-based algorithms. A software library based on this algorithm has been implemented in C++11 and has been released.« less

  10. Singularity Preserving Numerical Methods for Boundary Integral Equations

    NASA Technical Reports Server (NTRS)

    Kaneko, Hideaki (Principal Investigator)

    1996-01-01

    In the past twelve months (May 8, 1995 - May 8, 1996), under the cooperative agreement with Division of Multidisciplinary Optimization at NASA Langley, we have accomplished the following five projects: a note on the finite element method with singular basis functions; numerical quadrature for weakly singular integrals; superconvergence of degenerate kernel method; superconvergence of the iterated collocation method for Hammersteion equations; and singularity preserving Galerkin method for Hammerstein equations with logarithmic kernel. This final report consists of five papers describing these projects. Each project is preceeded by a brief abstract.

  11. Practicable group testing method to evaluate weight/weight GMO content in maize grains.

    PubMed

    Mano, Junichi; Yanaka, Yuka; Ikezu, Yoko; Onishi, Mari; Futo, Satoshi; Minegishi, Yasutaka; Ninomiya, Kenji; Yotsuyanagi, Yuichi; Spiegelhalter, Frank; Akiyama, Hiroshi; Teshima, Reiko; Hino, Akihiro; Naito, Shigehiro; Koiwa, Tomohiro; Takabatake, Reona; Furui, Satoshi; Kitta, Kazumi

    2011-07-13

    Because of the increasing use of maize hybrids with genetically modified (GM) stacked events, the established and commonly used bulk sample methods for PCR quantification of GM maize in non-GM maize are prone to overestimate the GM organism (GMO) content, compared to the actual weight/weight percentage of GM maize in the grain sample. As an alternative method, we designed and assessed a group testing strategy in which the GMO content is statistically evaluated based on qualitative analyses of multiple small pools, consisting of 20 maize kernels each. This approach enables the GMO content evaluation on a weight/weight basis, irrespective of the presence of stacked-event kernels. To enhance the method's user-friendliness in routine application, we devised an easy-to-use PCR-based qualitative analytical method comprising a sample preparation step in which 20 maize kernels are ground in a lysis buffer and a subsequent PCR assay in which the lysate is directly used as a DNA template. This method was validated in a multilaboratory collaborative trial.

  12. Personal sleep pattern visualization using sequence-based kernel self-organizing map on sound data.

    PubMed

    Wu, Hongle; Kato, Takafumi; Yamada, Tomomi; Numao, Masayuki; Fukui, Ken-Ichi

    2017-07-01

    We propose a method to discover sleep patterns via clustering of sound events recorded during sleep. The proposed method extends the conventional self-organizing map algorithm by kernelization and sequence-based technologies to obtain a fine-grained map that visualizes the distribution and changes of sleep-related events. We introduced features widely applied in sound processing and popular kernel functions to the proposed method to evaluate and compare performance. The proposed method provides a new aspect of sleep monitoring because the results demonstrate that sound events can be directly correlated to an individual's sleep patterns. In addition, by visualizing the transition of cluster dynamics, sleep-related sound events were found to relate to the various stages of sleep. Therefore, these results empirically warrant future study into the assessment of personal sleep quality using sound data. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. AMITIS: A 3D GPU-Based Hybrid-PIC Model for Space and Plasma Physics

    NASA Astrophysics Data System (ADS)

    Fatemi, Shahab; Poppe, Andrew R.; Delory, Gregory T.; Farrell, William M.

    2017-05-01

    We have developed, for the first time, an advanced modeling infrastructure in space simulations (AMITIS) with an embedded three-dimensional self-consistent grid-based hybrid model of plasma (kinetic ions and fluid electrons) that runs entirely on graphics processing units (GPUs). The model uses NVIDIA GPUs and their associated parallel computing platform, CUDA, developed for general purpose processing on GPUs. The model uses a single CPU-GPU pair, where the CPU transfers data between the system and GPU memory, executes CUDA kernels, and writes simulation outputs on the disk. All computations, including moving particles, calculating macroscopic properties of particles on a grid, and solving hybrid model equations are processed on a single GPU. We explain various computing kernels within AMITIS and compare their performance with an already existing well-tested hybrid model of plasma that runs in parallel using multi-CPU platforms. We show that AMITIS runs ∼10 times faster than the parallel CPU-based hybrid model. We also introduce an implicit solver for computation of Faraday’s Equation, resulting in an explicit-implicit scheme for the hybrid model equation. We show that the proposed scheme is stable and accurate. We examine the AMITIS energy conservation and show that the energy is conserved with an error < 0.2% after 500,000 timesteps, even when a very low number of particles per cell is used.

  14. SU-E-T-510: Calculation of High Resolution and Material-Specific Photon Energy Deposition Kernels.

    PubMed

    Huang, J; Childress, N; Kry, S

    2012-06-01

    To calculate photon energy deposition kernels (EDKs) used for convolution/superposition dose calculation at a higher resolution than the original Mackie et al. 1988 kernels and to calculate material-specific kernels that describe how energy is transported and deposited by secondary particles when the incident photon interacts in a material other than water. The high resolution EDKs for various incident photon energies were generated using the EGSnrc user-code EDKnrc, which forces incident photons to interact at the center of a 60 cm radius sphere of water. The simulation geometry is essentially the same as the original Mackie calculation but with a greater number of scoring voxels (48 radial, 144 angular bins). For the material-specific EDKs, incident photons were forced to interact at the center of a 1 mm radius sphere of material (lung, cortical bone, silver, or titanium) surrounded by a 60 cm radius water sphere, using the original scoring voxel geometry implemented by Mackie et al. 1988 (24 radial, 48 angular bins). Our Monte Carlo-calculated high resolution EDKs showed excellent agreement with the Mackie kernels, with our kernels providing more information about energy deposition close to the interaction site. Furthermore, our EDKs resulted in smoother dose deposition functions due to the finer resolution and greater number of simulation histories. The material-specific EDK results show that the angular distribution of energy deposition is different for incident photons interacting in different materials. Calculated from the angular dose distribution for 300 keV incident photons, the expected polar angle for dose deposition () is 28.6° for water, 33.3° for lung, 36.0° for cortical bone, 44.6° for titanium, and 58.1° for silver, showing a dependence on the material in which the primary photon interacts. These high resolution and material-specific EDKs have implications for convolution/superposition dose calculations in heterogeneous patient geometries, especially at material interfaces. © 2012 American Association of Physicists in Medicine.

  15. Increasing the Size of a Piece of Popcorn

    NASA Astrophysics Data System (ADS)

    Quinn, Paul; Hong, Daniel C.; Both, Joseph

    2003-03-01

    Popcorn is an extremely popular snack food in the world today. Thermodynamics can be used to analyze how popcorn is produced. By treating the popping mechanism of the corn as a thermodynamic expansion, a method of increasing the volume or size of a kernel of popcorn can be studied. By lowering the pressure surrounding the unpopped kernel, one can use a thermodynamic argument to show that the expanded volume of the kernel when it pops must increase. In this project, a variety of experiments are run to test the validity of this theory. The results show that there is a significant increase in the average kernel size when the pressure of the surroundings is reduced.

  16. Increasing the size of a piece of popcorn

    NASA Astrophysics Data System (ADS)

    Quinn, Paul V.; Hong, Daniel C.; Both, J. A.

    2005-08-01

    Popcorn is an extremely popular snack food in the world today. Thermodynamics can be used to analyze how popcorn is produced. By treating the popping mechanism of the corn as a thermodynamic expansion, a method of increasing the volume or size of a kernel of popcorn can be studied. By lowering the pressure surrounding the unpopped kernel, one can use a thermodynamic argument to show that the expanded volume of the kernel when it pops must increase. In this project, a variety of experiments are run to test the qualitative validity of this theory. The results show that there is a significant increase in the average kernel size when the pressure of the surroundings is reduced.

  17. Improving KPCA Online Extraction by Orthonormalization in the Feature Space.

    PubMed

    Souza Filho, Joao B O; Diniz, Paulo S R

    2018-04-01

    Recently, some online kernel principal component analysis (KPCA) techniques based on the generalized Hebbian algorithm (GHA) were proposed for use in large data sets, defining kernel components using concise dictionaries automatically extracted from data. This brief proposes two new online KPCA extraction algorithms, exploiting orthogonalized versions of the GHA rule. In both the cases, the orthogonalization of kernel components is achieved by the inclusion of some low complexity additional steps to the kernel Hebbian algorithm, thus not substantially affecting the computational cost of the algorithm. Results show improved convergence speed and accuracy of components extracted by the proposed methods, as compared with the state-of-the-art online KPCA extraction algorithms.

  18. A simple and fast method for computing the relativistic Compton Scattering Kernel for radiative transfer

    NASA Technical Reports Server (NTRS)

    Kershaw, David S.; Prasad, Manoj K.; Beason, J. Douglas

    1986-01-01

    The Klein-Nishina differential cross section averaged over a relativistic Maxwellian electron distribution is analytically reduced to a single integral, which can then be rapidly evaluated in a variety of ways. A particularly fast method for numerically computing this single integral is presented. This is, to the authors' knowledge, the first correct computation of the Compton scattering kernel.

  19. The resolvent of singular integral equations. [of kernel functions in mixed boundary value problems

    NASA Technical Reports Server (NTRS)

    Williams, M. H.

    1977-01-01

    The investigation reported is concerned with the construction of the resolvent for any given kernel function. In problems with ill-behaved inhomogeneous terms as, for instance, in the aerodynamic problem of flow over a flapped airfoil, direct numerical methods become very difficult. A description is presented of a solution method by resolvent which can be employed in such problems.

  20. Fast metabolite identification with Input Output Kernel Regression.

    PubMed

    Brouard, Céline; Shen, Huibin; Dührkop, Kai; d'Alché-Buc, Florence; Böcker, Sebastian; Rousu, Juho

    2016-06-15

    An important problematic of metabolomics is to identify metabolites using tandem mass spectrometry data. Machine learning methods have been proposed recently to solve this problem by predicting molecular fingerprint vectors and matching these fingerprints against existing molecular structure databases. In this work we propose to address the metabolite identification problem using a structured output prediction approach. This type of approach is not limited to vector output space and can handle structured output space such as the molecule space. We use the Input Output Kernel Regression method to learn the mapping between tandem mass spectra and molecular structures. The principle of this method is to encode the similarities in the input (spectra) space and the similarities in the output (molecule) space using two kernel functions. This method approximates the spectra-molecule mapping in two phases. The first phase corresponds to a regression problem from the input space to the feature space associated to the output kernel. The second phase is a preimage problem, consisting in mapping back the predicted output feature vectors to the molecule space. We show that our approach achieves state-of-the-art accuracy in metabolite identification. Moreover, our method has the advantage of decreasing the running times for the training step and the test step by several orders of magnitude over the preceding methods. celine.brouard@aalto.fi Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press.

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